file_name stringlengths 11 11 | content stringlengths 1.16k 56.6M |
|---|---|
1010776.cif | #------------------------------------------------------------------------------
#$Date: 2014-05-25 11:28:04 +0300 (Sun, 25 May 2014) $
#$Revision: 114540 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010776.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010776
_chemical_name_systematic 'Fluorotrichloromethane'
_chemical_formula_structural 'F C Cl3'
_chemical_formula_sum 'C Cl3 F'
_publ_section_title
;
Interatomic distances of F C Cl~3~ and F C Br~3~
;
loop_
_publ_author_name
'Wouters, J'
'De Hemptinne, M'
_journal_name_full 'Nature (London)'
_journal_coden_ASTM NATUAS
_journal_volume 141
_journal_year 1938
_journal_page_first 412
_journal_page_last 413
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010776
|
1010777.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010777.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010777
_chemical_name_systematic 'Fluorotribromomethane'
_chemical_formula_structural 'F C Br3'
_chemical_formula_sum 'Br3 F'
_publ_section_title
;
Interatomic distances of F C Cl~3~ and F C Br~3~
;
loop_
_publ_author_name
'Wouters, J'
'De Hemptinne, M'
_journal_name_full 'Nature (London)'
_journal_coden_ASTM NATUAS
_journal_volume 141
_journal_year 1938
_journal_page_first 412
_journal_page_last 413
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010777
|
1010778.cif | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010778.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010778
loop_
_publ_author_name
'Strunz, H'
_publ_section_title
;
Gitterkonstante und Raumgruppe von Rhodizit und Jeremejewit
;
_journal_coden_ASTM NATWAY
_journal_name_full Naturwissenschaften
_journal_page_first 217
_journal_page_last 217
_journal_volume 26
_journal_year 1938
_chemical_formula_structural '(Na K)2 Li4 Al4 Be2 B10 O27'
_chemical_formula_sum 'Al4 B10 Be2 K2 Li4 Na2 O27'
_chemical_name_mineral Rhodizite
_chemical_name_systematic
;
Sodium potassium lithium aluminium beryllium borate *
;
_space_group_IT_number 215
_symmetry_cell_setting cubic
_symmetry_Int_Tables_number 215
_symmetry_space_group_name_Hall 'P -4 2 3'
_symmetry_space_group_name_H-M 'P -4 3 m'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 0
_cell_length_a 7.303(25)
_cell_length_b 7.303
_cell_length_c 7.303
_cell_volume 389.5
_cod_database_code 1010778
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
x,z,y
y,x,z
z,y,x
x,-y,-z
y,-z,-x
z,-x,-y
x,-z,-y
y,-x,-z
z,-y,-x
-x,y,-z
-y,z,-x
-z,x,-y
-x,z,-y
-y,x,-z
-z,y,-x
-x,-y,z
-y,-z,x
-z,-x,y
-x,-z,y
-y,-x,z
-z,-y,x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010779.cif | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010779.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010779
loop_
_publ_author_name
'Strunz, H'
_publ_section_title
;
Gitterkonstante und Raumgruppe von Rhodizit und Jeremejewit
;
_journal_coden_ASTM NATWAY
_journal_name_full Naturwissenschaften
_journal_page_first 217
_journal_page_last 217
_journal_volume 26
_journal_year 1938
_chemical_formula_structural 'Al B O3'
_chemical_formula_sum 'Al B O3'
_chemical_name_mineral Jeremejewite
_chemical_name_systematic 'Aluminium borate'
_space_group_IT_number 176
_symmetry_cell_setting hexagonal
_symmetry_Int_Tables_number 176
_symmetry_space_group_name_Hall '-P 6c'
_symmetry_space_group_name_H-M 'P 63/m'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_cell_length_a 8.47(2)
_cell_length_b 8.47
_cell_length_c 8.09(2)
_cell_volume 502.6
_cod_database_code 1010779
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-x,-y,1/2+z
y,y-x,1/2+z
x-y,x,1/2+z
-x,-y,-z
y,y-x,-z
x-y,x,-z
x,y,1/2-z
-y,x-y,1/2-z
y-x,-x,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010780.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010780.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010780
_chemical_name_systematic 'Dodecatungstophosphoric acid 30-hydrate'
_chemical_formula_structural 'H3 P W12 O40 (H2 O)30'
_chemical_formula_sum 'H63 O70 P W12'
_publ_section_title
;
Structure of the crystals of 12-phosphotungstic acid
;
loop_
_publ_author_name 'Keggin, J F'
_journal_name_full 'Nature (London)'
_journal_coden_ASTM NATUAS
_journal_volume 132
_journal_year 1933
_journal_page_first 351
_journal_page_last 351
_cell_length_a 23.281(2)
_cell_length_b 23.281
_cell_length_c 23.281
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 12618.4
_cell_formula_units_Z 8
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010780
|
1010781.cif | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010781.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010781
loop_
_publ_author_name
'Hassel, O'
_publ_section_title
;
Weitere Beobachtungen ueber Isomorphie bei kubischen Kristallen von
Hexammine- und Pentammin-Aquokomplexsalzen
;
_journal_coden_ASTM NOGTAO
_journal_name_full 'Norsk Geologisk Tidsskrift'
_journal_page_first 92
_journal_page_last 96
_journal_volume 10
_journal_year 1928
_chemical_formula_structural 'Co (N H3)6 S O4 I'
_chemical_formula_sum 'Co H18 I N6 O4 S'
_chemical_name_systematic 'Hexaamminecobalt iodide sulfate'
_space_group_IT_number 216
_symmetry_cell_setting cubic
_symmetry_Int_Tables_number 216
_symmetry_space_group_name_Hall 'F -4 2 3'
_symmetry_space_group_name_H-M 'F -4 3 m'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 10.71
_cell_length_b 10.71
_cell_length_c 10.71
_cell_volume 1228.5
_cod_original_formula_sum 'H18 Co I N6 O4 S'
_cod_database_code 1010781
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
x,z,y
y,x,z
z,y,x
x,-y,-z
y,-z,-x
z,-x,-y
x,-z,-y
y,-x,-z
z,-y,-x
-x,y,-z
-y,z,-x
-z,x,-y
-x,z,-y
-y,x,-z
-z,y,-x
-x,-y,z
-y,-z,x
-z,-x,y
-x,-z,y
-y,-x,z
-z,-y,x
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
x,1/2+z,1/2+y
1/2+x,z,1/2+y
1/2+x,1/2+z,y
y,1/2+x,1/2+z
1/2+y,x,1/2+z
1/2+y,1/2+x,z
z,1/2+y,1/2+x
1/2+z,y,1/2+x
1/2+z,1/2+y,x
x,1/2-y,1/2-z
1/2+x,-y,1/2-z
1/2+x,1/2-y,-z
y,1/2-z,1/2-x
1/2+y,-z,1/2-x
1/2+y,1/2-z,-x
z,1/2-x,1/2-y
1/2+z,-x,1/2-y
1/2+z,1/2-x,-y
x,1/2-z,1/2-y
1/2+x,-z,1/2-y
1/2+x,1/2-z,-y
y,1/2-x,1/2-z
1/2+y,-x,1/2-z
1/2+y,1/2-x,-z
z,1/2-y,1/2-x
1/2+z,-y,1/2-x
1/2+z,1/2-y,-x
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
-y,1/2+z,1/2-x
1/2-y,z,1/2-x
1/2-y,1/2+z,-x
-z,1/2+x,1/2-y
1/2-z,x,1/2-y
1/2-z,1/2+x,-y
-x,1/2+z,1/2-y
1/2-x,z,1/2-y
1/2-x,1/2+z,-y
-y,1/2+x,1/2-z
1/2-y,x,1/2-z
1/2-y,1/2+x,-z
-z,1/2+y,1/2-x
1/2-z,y,1/2-x
1/2-z,1/2+y,-x
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
-y,1/2-z,1/2+x
1/2-y,-z,1/2+x
1/2-y,1/2-z,x
-z,1/2-x,1/2+y
1/2-z,-x,1/2+y
1/2-z,1/2-x,y
-x,1/2-z,1/2+y
1/2-x,-z,1/2+y
1/2-x,1/2-z,y
-y,1/2-x,1/2+z
1/2-y,-x,1/2+z
1/2-y,1/2-x,z
-z,1/2-y,1/2+x
1/2-z,-y,1/2+x
1/2-z,1/2-y,x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Co1 Co3+ 4 a 0. 0. 0. 1. 0 d
S1 S6+ 4 c 0.25 0.25 0.25 1. 0 d
I1 I1- 4 d 0.75 0.75 0.75 1. 0 d
N1 N3- 4 ? -1. -1. -1. 6. 0 dum
O1 O2- 4 ? -1. -1. -1. 4. 0 dum
H1 H1+ 4 ? -1. -1. -1. 18. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
Co3+ 3.000
S6+ 6.000
I1- -1.000
N3- -3.000
O2- -2.000
H1+ 1.000
|
1010782.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/07/1010782.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010782
loop_
_publ_author_name
'Hassel, O'
_publ_section_title
;
Ueber die Existenz einer streng strukturtheoretisch nicht erlaubten
Isomorphie hoehersymmetrischer Kristalle von Hexammin Pentamminaquo-
und Tetrammindiaquo-Komplexen
;
_journal_coden_ASTM NOGTAO
_journal_name_full 'Norsk Geologisk Tidsskrift'
_journal_page_first 32
_journal_page_last 38
_journal_volume 10
_journal_year 1928
_chemical_formula_structural 'Co (N H3)6 Co (C N)6'
_chemical_formula_sum 'Co2 H18 N12'
_chemical_name_systematic 'Hexamminecobalt(III) hexacyanocobaltate'
_cod_original_formula_sum 'H18 Co2 N12'
_cod_database_code 1010782
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010783.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/07/1010783.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010783
loop_
_publ_author_name
'Hassel, O'
_publ_section_title
;
Ueber die Existenz einer streng strukturtheoretisch nicht erlaubten
Isomorphie hoehersymmetrischer Kristalle von Hexammin Pentamminaquo-
und Tetrammindiaquo-Komplexen
;
_journal_coden_ASTM NOGTAO
_journal_name_full 'Norsk Geologisk Tidsskrift'
_journal_page_first 32
_journal_page_last 38
_journal_volume 10
_journal_year 1928
_chemical_formula_structural 'Co (N H3)5 (H2 O) Co (C N)6'
_chemical_formula_sum 'Co2 H17 N11 O'
_chemical_name_systematic
;
Pentammineaquacobalt(III) hexacyanocobaltate
;
_cod_original_formula_sum 'H17 Co2 N11 O'
_cod_database_code 1010783
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010784.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 21:15:23 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278154 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/07/1010784.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010784
loop_
_publ_author_name
'Hassel, O'
_publ_section_title
;
Ueber die Existenz einer strenq strukturtheoretisch nicht erlaubten
Isomorphie hoehersymmetrischer Kristalle von Hexammin Pentamminaquo-
und Tetrammindiaquo-Komplexen
;
_journal_coden_ASTM NOGTAO
_journal_name_full 'Norsk Geologisk Tidsskrift'
_journal_page_first 32
_journal_page_last 38
_journal_volume 10
_journal_year 1928
_chemical_formula_structural 'Co (N H3)4 (H2 O)2 Co (C N)6'
_chemical_formula_sum 'C6 H16 Co2 N10 O2'
_chemical_name_systematic
;
Tetraamminediaquacobalt(III) hexacyanocobaltate
;
_cod_database_code 1010784
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2022-09-25T21:10:00+03:00
;
Corrected the summary chemical formula by changing it from 'H16 Co2 N10 O2'
to 'C6 H16 Co2 N10 O2'.
;
|
1010785.cif | #------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010785.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010785
_chemical_name_systematic 'Sodium iron hexacyanoferrate'
_chemical_formula_structural 'Fe Na Fe (C N)6'
_chemical_formula_sum 'Fe2 N6 Na'
_publ_section_title
;
Structures and formulae of the prussian blues and related compounds
;
loop_
_publ_author_name
'Keggin, J F'
'Miles, F D'
_journal_name_full 'Nature (London)'
_journal_coden_ASTM NATUAS
_journal_volume 137
_journal_year 1936
_journal_page_first 577
_journal_page_last 578
_cell_length_a 10.2
_cell_length_b 10.2
_cell_length_c 10.2
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1061.2
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010785
_journal_paper_doi 10.1038/137577a0
|
1010786.cif | #------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010786.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010786
_chemical_name_systematic 'Disodium iron hexacyanoferrate(II)'
_chemical_formula_structural 'Fe Na2 Fe (C N)6'
_chemical_formula_sum 'Fe2 N6 Na2'
_publ_section_title
;
Structures and formulae of the prussian blues and related compounds
;
loop_
_publ_author_name
'Keggin, J F'
'Miles, F D'
_journal_name_full 'Nature (London)'
_journal_coden_ASTM NATUAS
_journal_volume 137
_journal_year 1936
_journal_page_first 577
_journal_page_last 578
_cell_length_a 5.1
_cell_length_b 5.1
_cell_length_c 5.1
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 132.7
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010786
_journal_paper_doi 10.1038/137577a0
|
1010787.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/07/1010787.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010787
loop_
_publ_author_name
'Wouters, J'
_publ_section_title
;
Proefondervindelijk onerzoek der moleculestructur von silicochloroform
en siliciumbromotrichloride
;
_journal_coden_ASTM WNTJAF
_journal_name_full 'Wis-en Natuurkundig Tijdschrift'
_journal_page_first 231
_journal_page_last 250
_journal_volume 8
_journal_year 1937
_chemical_formula_structural 'H Si Cl3'
_chemical_formula_sum 'Cl3 H Si'
_chemical_name_systematic Trichlorosilane
_cod_original_formula_sum 'H Cl3 Si'
_cod_database_code 1010787
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010788.cif | #------------------------------------------------------------------------------
#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010788.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010788
loop_
_publ_author_name
'Bruni, G'
'Ferrari, A'
_publ_section_title
;
Sulla struttura cristallina di alcuni cloruri bivalenti
;
_journal_coden_ASTM AANL7U
_journal_name_full
;
Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche,
Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)
;
_journal_page_first 10
_journal_page_last 13
_journal_volume 4
_journal_year 1926
_chemical_formula_structural 'Mn Cl2'
_chemical_formula_sum 'Cl2 Mn'
_chemical_name_mineral Scacchite
_chemical_name_systematic 'Manganese chloride'
_cell_angle_alpha 91.5
_cell_angle_beta 91.5
_cell_angle_gamma 91.5
_cell_formula_units_Z 1
_cell_length_a 2.34
_cell_length_b 2.34
_cell_length_c 2.34
_cell_volume 12.8
_cod_database_code 1010788
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010789.cif | #------------------------------------------------------------------------------
#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010789.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010789
loop_
_publ_author_name
'Zambonini, F'
'Ferrari, A'
_publ_section_title
;
Ricerche sul fosfato e sul chlorofosfato di piombo (piromorfite).
;
_journal_coden_ASTM AANL7U
_journal_name_full
;
Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche,
Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)
;
_journal_page_first 283
_journal_page_last 291
_journal_volume 7
_journal_year 1928
_chemical_formula_structural '(Pb3 P2 O8)3 Pb Cl2'
_chemical_formula_sum 'Cl2 O24 P6 Pb10'
_chemical_name_mineral Pyromorphite
_chemical_name_systematic 'Decalead phosphate dichloride'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 0
_cell_length_a 10.03
_cell_length_b 10.03
_cell_length_c 10.03
_cell_volume 1009.0
_cod_database_code 1010789
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010790.cif | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010790.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010790
loop_
_publ_author_name
'Fenoglio, M'
'Millosevich, F'
_publ_section_title
;
Ricerche sui carbonati naturali neutri e basici di magnesio idrati.
;
_journal_coden_ASTM AANL7U
_journal_name_full
;
Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche,
Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)
;
_journal_page_first 219
_journal_page_last 222
_journal_volume 24
_journal_year 1936
_chemical_compound_source 'from Cogne, Val d'Aosta, Italy'
_chemical_formula_structural 'Mg C O3 (H2 O)5'
_chemical_formula_sum 'H10 Mg O8'
_chemical_name_mineral Lansfordite
_chemical_name_systematic 'Magnesium carbonate pentahydrate'
_space_group_IT_number 10
_symmetry_cell_setting monoclinic
_symmetry_Int_Tables_number 10
_symmetry_space_group_name_Hall '-P 2y'
_symmetry_space_group_name_H-M 'P 1 2/m 1'
_cell_angle_alpha 90
_cell_angle_beta 78.18
_cell_angle_gamma 90
_cell_formula_units_Z 1
_cell_length_a 12.48
_cell_length_b 7.55
_cell_length_c 7.34
_cell_volume 676.9
_cod_database_code 1010790
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010791.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010791.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010791
_chemical_name_systematic 'Neodymium nitride'
_chemical_formula_structural 'Nd N'
_chemical_formula_sum 'N Nd'
_publ_section_title
;
Sulla struttura cristallina dei composti delle terre rare con i
metalloidi del V gruppo. - Composti del Neodimio.
;
loop_
_publ_author_name
'Iandelli, A'
'Botti, E'
_journal_name_full
;
Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche,
Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)
;
_journal_coden_ASTM AANL7U
_journal_volume 25
_journal_year 1937
_journal_page_first 638
_journal_page_last 640
_cell_length_a 5.141
_cell_length_b 5.141
_cell_length_c 5.141
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 135.9
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010791
|
1010792.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010792.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010792
_chemical_name_systematic 'Neodymium phosphide'
_chemical_formula_structural 'Nd P'
_chemical_formula_sum 'Nd P'
_publ_section_title
;
Sulla struttura cristallina dei composti delle terre rare con i
metalloidi del V gruppo. - Composti del Neodimio.
;
loop_
_publ_author_name
'Iandelli, A'
'Botti, E'
_journal_name_full
;
Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche,
Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)
;
_journal_coden_ASTM AANL7U
_journal_volume 25
_journal_year 1937
_journal_page_first 638
_journal_page_last 640
_cell_length_a 5.826
_cell_length_b 5.826
_cell_length_c 5.826
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 197.7
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010792
|
1010793.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010793.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010793
_chemical_name_systematic 'Neodymium antimonide'
_chemical_formula_structural 'Nd Sb'
_chemical_formula_sum 'Nd Sb'
_publ_section_title
;
Sulla struttura cristallina dei composti delle terre rare con i
metalloidi del V gruppo. - Composti del Neodimio.
;
loop_
_publ_author_name
'Iandelli, A'
'Botti, E'
_journal_name_full
;
Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche,
Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)
;
_journal_coden_ASTM AANL7U
_journal_volume 25
_journal_year 1937
_journal_page_first 638
_journal_page_last 640
_cell_length_a 6.309
_cell_length_b 6.309
_cell_length_c 6.309
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 251.1
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010793
|
1010794.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010794.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010794
_chemical_name_systematic 'Neodymium arsenide'
_chemical_formula_structural 'Nd As'
_chemical_formula_sum 'As Nd'
_publ_section_title
;
Sulla struttura cristallina dei composti delle terre rare con i
metalloidi del V gruppo. - Composti del Neodimio.
;
loop_
_publ_author_name
'Iandelli, A'
'Botti, E'
_journal_name_full
;
Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche,
Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)
;
_journal_coden_ASTM AANL7U
_journal_volume 25
_journal_year 1937
_journal_page_first 638
_journal_page_last 640
_cell_length_a 5.958
_cell_length_b 5.958
_cell_length_c 5.958
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 211.5
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010794
|
1010795.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010795.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010795
_chemical_name_systematic 'Lanthanum nitride'
_chemical_formula_structural 'La N'
_chemical_formula_sum 'La N'
_publ_section_title
;
Sulla struttura cristallina dei composti delle terre rare con i
metalloidi del V gruppo. - Azoturi di Lantanio, Cerio e
Praesodimio.
;
loop_
_publ_author_name
'Iandelli, A'
'Botti, E'
_journal_name_full
;
Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche,
Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)
;
_journal_coden_ASTM AANL7U
_journal_volume 25
_journal_year 1937
_journal_page_first 129
_journal_page_last 132
_cell_length_a 5.275
_cell_length_b 5.275
_cell_length_c 5.275
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 146.8
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010795
|
1010796.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010796.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010796
_chemical_name_systematic 'Cerium nitride'
_chemical_formula_structural 'Ce N'
_chemical_formula_sum 'Ce N'
_publ_section_title
;
Sulla struttura cristallina dei composti delle terre rare con i
metalloidi del V gruppo. - Azoturi di Lantanio, Cerio e
Praseodimio.
;
loop_
_publ_author_name
'Iandelli, A'
'Botti, E'
_journal_name_full
;
Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche,
Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)
;
_journal_coden_ASTM AANL7U
_journal_volume 25
_journal_year 1937
_journal_page_first 129
_journal_page_last 132
_cell_length_a 5.011
_cell_length_b 5.011
_cell_length_c 5.011
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 125.8
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010796
|
1010797.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010797.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010797
_chemical_name_systematic 'Praseodymium nitride'
_chemical_formula_structural 'Pr N'
_chemical_formula_sum 'N Pr'
_publ_section_title
;
Sulla struttura cristallina dei composti delle terre rare con i
metalloidi del V gruppo. - Azoturi di Lantanio, Cerio e
Praseodimio.
;
loop_
_publ_author_name
'Iandelli, A'
'Botti, E'
_journal_name_full
;
Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche,
Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)
;
_journal_coden_ASTM AANL7U
_journal_volume 25
_journal_year 1937
_journal_page_first 129
_journal_page_last 132
_cell_length_a 5.155
_cell_length_b 5.155
_cell_length_c 5.155
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 137.0
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010797
|
1010798.cif | #------------------------------------------------------------------------------
#$Date: 2018-07-07 04:59:37 +0300 (Sat, 07 Jul 2018) $
#$Revision: 208902 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/07/1010798.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010798
loop_
_publ_author_name
'de Rassenfosse, A'
'Pierard, J'
_publ_section_title
;
Etude cristallographique du palladocyanure de baryum. Ba Pd (C N)~4~
(H~2~ O)~4~.
;
_journal_coden_ASTM BSRSA6
_journal_name_full
;
Bulletin de la Societe Royal des Sciences de Liege
;
_journal_page_first 74
_journal_page_last 79
_journal_volume 4
_journal_year 1935
_chemical_formula_structural 'Ba Pd (C N)4 (H2 O)4'
_chemical_formula_sum 'C4 H8 Ba N4 O4 Pd'
_chemical_name_systematic 'Barium tetracyanopalladate(II) tetrahydrate'
_space_group_IT_number 15
_symmetry_cell_setting monoclinic
_symmetry_Int_Tables_number 15
_symmetry_space_group_name_Hall '-C 2yc'
_symmetry_space_group_name_H-M 'C 1 2/c 1'
_cell_angle_alpha 90
_cell_angle_beta 103.63
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 11.95
_cell_length_b 13.82
_cell_length_c 6.71
_cell_volume 1076.9
_exptl_crystal_density_meas 2.57
_cod_depositor_comments
;
Correcting the summary chemical formula by changing it from 'Ba H8 N4 O4 Pd'
to 'C4 H8 Ba N4 O4 Pd'.
Antanas Vaitkus,
2018-07-07
;
_cod_original_formula_sum 'H8 Ba N4 O4 Pd'
_cod_database_code 1010798
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ba1 Ba2+ 4 e 0. 0.375 0.25 1. 0 d
Pd1 Pd2+ 4 e 0. 0. 0. 1. 0 d
C1 C2+ 4 e -1. -1. -1. 4. 0 dum
N1 N3- 4 e -1. -1. -1. 4. 0 dum
O1 O2- 4 e -1. -1. -1. 4. 0 dum
H1 H1+ 4 e -1. -1. -1. 8. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+ 2.000
Pd2+ 2.000
C2+ 2.000
N3- -3.000
O2- -2.000
H1+ 1.000
|
1010799.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010799.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010799
_chemical_name_systematic
;
Strontium tetracyanoplatinate(II) pentahydrate
;
_chemical_formula_structural 'Sr Pt (C N)4 (H2 O)5'
_chemical_formula_sum 'H10 N4 O5 Pt Sr'
_publ_section_title
;
Etude cristallographique du platinocyanure de strontium Sr Pt (C N)~4~
(H~2~ O)~5~
;
loop_
_publ_author_name
'Brasseur, H'
'de Rassenfosse, A'
_journal_name_full
;
Bulletin de la Societe Royal des Sciences de Liege
;
_journal_coden_ASTM BSRSA6
_journal_volume 5
_journal_year 1936
_journal_page_first 123
_journal_page_last 129
_cell_length_a 10.555
_cell_length_b 15.42
_cell_length_c 7.131
_cell_angle_alpha 90
_cell_angle_beta 94.82
_cell_angle_gamma 90
_cell_volume 1156.5
_cell_formula_units_Z 4
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010799
|
1010800.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010800.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010800
loop_
_publ_author_name
'Brasseur, H'
'de Rassenfosse, A'
_publ_section_title
;
Etude cristallopraphique du platinocyanure de calcium hydrate.
;
_journal_coden_ASTM BSRSA6
_journal_name_full
;
Bulletin de la Societe Royal des Sciences de Liege
;
_journal_page_first 24
_journal_page_last 33
_journal_volume 4
_journal_year 1935
_chemical_formula_structural 'Ca Pt (C N)4 (H2 O)5'
_chemical_formula_sum 'Ca H10 N4 O5 Pt'
_chemical_name_systematic
;
Calcium tetracyanoplatinate(II) pentahydrate
;
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
_cell_length_a 17.08
_cell_length_b 18.98
_cell_length_c 6.64
_cell_volume 2152.5
_exptl_crystal_density_meas 2.61
_cod_original_formula_sum 'H10 Ca N4 O5 Pt'
_cod_database_code 1010800
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010801.cif | #------------------------------------------------------------------------------
#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010801.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010801
loop_
_publ_author_name
'Garrido, J'
'Feo, R'
_publ_section_title 'Sur les sulfotellurures de bismuth'
_journal_coden_ASTM BSFMAU
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie (-71,1948)
;
_journal_page_first 196
_journal_page_last 204
_journal_volume 61
_journal_year 1938
_chemical_compound_source
;
from Tazna, Bolivia, Collection of the Museum of Paris
;
_chemical_formula_structural 'Bi2 S3'
_chemical_formula_sum 'Bi2 S3'
_chemical_name_mineral Bismuthinite
_chemical_name_systematic 'Bismuth sulfide'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 0
_cell_length_a 11.13
_cell_length_b 11.27
_cell_length_c 3.97
_cell_volume 498.0
_cod_database_code 1010801
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010802.cif | #------------------------------------------------------------------------------
#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010802.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010802
loop_
_publ_author_name
'Garrido, J'
'Feo, R'
_publ_section_title 'Sur les sulfotellurures de bismuth'
_journal_coden_ASTM BSFMAU
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie (-71,1948)
;
_journal_page_first 196
_journal_page_last 204
_journal_volume 61
_journal_year 1938
_chemical_compound_source
;
from Ronghten Gill, Cumberland, Collection of the Museum national
d*Histoire naturelle de Paris
;
_chemical_formula_structural 'Bi4 Te S3'
_chemical_formula_sum 'Bi4 S3 Te'
_chemical_name_mineral Gruenlingite
_chemical_name_systematic 'Bismuth telluride sulfide (4/1/3)'
_cod_database_code 1010802
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010803.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010803.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010803
loop_
_publ_author_name
'Wyart, J'
'Chatelain, P'
_publ_section_title 'Etude cristallographique de la christianite'
_journal_coden_ASTM BSFMAU
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie (-71,1948)
;
_journal_page_first 121
_journal_page_last 126
_journal_volume 61
_journal_year 1938
_chemical_compound_source
;
from the Collection of the Museum national d*Histoire naturelle de Paris
;
_chemical_formula_structural 'K Ca Al3 Si5 O16 (H2 O)6'
_chemical_formula_sum 'Al3 Ca H12 K O22 Si5'
_chemical_name_mineral Phillipsite
_chemical_name_systematic 'Potassium calcium alumosilicate hydrate *'
_space_group_IT_number 4
_symmetry_cell_setting monoclinic
_symmetry_Int_Tables_number 4
_symmetry_space_group_name_Hall 'P 2yb'
_symmetry_space_group_name_H-M 'P 1 21 1'
_cell_angle_alpha 90
_cell_angle_beta 54.33
_cell_angle_gamma 90
_cell_formula_units_Z 2
_cell_length_a 10.
_cell_length_b 14.25
_cell_length_c 8.62
_cell_volume 997.9
_exptl_crystal_density_meas 2.2
_cod_original_formula_sum 'H12 Al3 Ca K O22 Si5'
_cod_database_code 1010803
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010804.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010804.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010804
loop_
_publ_author_name
'Palache, C'
_publ_section_title 'Kroehnkite and Natrochalcite from Chile.'
_journal_coden_ASTM AJSCAP
_journal_name_full 'American Journal of Science (1939-)'
_journal_page_first 447
_journal_page_last 455
_journal_volume 237
_journal_year 1939
_chemical_compound_source 'from Chuquicamata, Chile'
_chemical_formula_structural '(Cu S O4) (Na2 S O4) (H2 O)2'
_chemical_formula_sum 'Cu H4 Na2 O10 S2'
_chemical_name_mineral Kroehnkite
_chemical_name_systematic 'Copper sulfate sodium sulfate dihydrate'
_space_group_IT_number 14
_symmetry_cell_setting monoclinic
_symmetry_Int_Tables_number 14
_symmetry_space_group_name_Hall '-P 2ybc'
_symmetry_space_group_name_H-M 'P 1 21/c 1'
_cell_angle_alpha 90
_cell_angle_beta 108.5
_cell_angle_gamma 90
_cell_formula_units_Z 2
_cell_length_a 5.78
_cell_length_b 12.58
_cell_length_c 5.48
_cell_volume 377.9
_exptl_crystal_density_meas 2.9
_cod_original_formula_sum 'H4 Cu Na2 O10 S2'
_cod_database_code 1010804
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
-x,-y,-z
x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010805.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010805.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010805
loop_
_publ_author_name
'Palache, C'
_publ_section_title 'Kroehnkite and Natrochalcite from Chile.'
_journal_coden_ASTM AJSCAP
_journal_name_full 'American Journal of Science (1939-)'
_journal_page_first 447
_journal_page_last 455
_journal_volume 237
_journal_year 1939
_chemical_compound_source 'from Chuquicamata, Chile'
_chemical_formula_structural 'Na2 S O4 Cu2 (Cu O H)2 (S O4)3 (H2 O)2'
_chemical_formula_sum 'Cu4 H6 Na2 O20 S4'
_chemical_name_mineral Natrochalcite
_chemical_name_systematic
;
Disodium tetracopper tetrakis(sulfate) dihydrate
;
_cell_angle_alpha 90
_cell_angle_beta 118.7
_cell_angle_gamma 90
_cell_formula_units_Z 1
_cell_length_a 8.74
_cell_length_b 6.15
_cell_length_c 6.53
_cell_volume 307.9
_exptl_crystal_density_meas 3.48
_cod_original_formula_sum 'H6 Cu4 Na2 O20 S4'
_cod_database_code 1010805
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010806.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010806.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010806
loop_
_publ_author_name
'Wyart, J'
'Chatelain, P'
_publ_section_title 'Etude cristallographique de la Christianite'
_journal_coden_ASTM BSFMAU
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie (-71,1948)
;
_journal_page_first 121
_journal_page_last 126
_journal_volume 61
_journal_year 1938
_chemical_compound_source 'from Richmond, Australia'
_chemical_formula_structural 'K Ca Al3 Si5 O16 (H2 O)6'
_chemical_formula_sum 'Al3 Ca H12 K O22 Si5'
_chemical_name_mineral Phillipsite
_chemical_name_systematic 'Potassium calcium alumosilicate hydrate *'
_cell_angle_alpha 90
_cell_angle_beta 54.2
_cell_angle_gamma 90
_cell_formula_units_Z 2
_cell_length_a 10.
_cell_length_b 14.25
_cell_length_c 8.62
_cell_volume 996.3
_exptl_crystal_density_meas 2.2
_cod_original_formula_sum 'H12 Al3 Ca K O22 Si5'
_cod_database_code 1010806
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010807.cif | #------------------------------------------------------------------------------
#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010807.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010807
loop_
_publ_author_name
'Longchambon, H'
_publ_section_title
;
Sur certaines caracteristiques de la Sepiolite d'Ampandandrava.
Discussion sur la formule des Sepiolites
;
_journal_coden_ASTM BSFMAU
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie (-71,1948)
;
_journal_page_first 232
_journal_page_last 276
_journal_volume 60
_journal_year 1937
_chemical_compound_source 'from Ampandandrava, Madagascar'
_chemical_formula_structural '(Mg O)2.58 (Si O2)4 (H2 O)'
_chemical_formula_sum 'H2 Mg2.58 O11.58 Si4'
_chemical_name_mineral Sepiolite
_chemical_name_systematic 'Magnesium silicate hydrate *'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 0
_cell_length_a 20.2
_cell_length_b 14.9
_cell_length_c 5.3
_cell_volume 1595.2
_cod_database_code 1010807
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010808.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010808.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010808
_chemical_name_systematic 'Dipotassium tetraoxotellurate'
_chemical_formula_structural 'K2 Te O4'
_chemical_formula_sum 'K2 O4 Te'
_publ_section_title
;
Sur les tellurates de potassium. Analogie avec les sulfates et les
seleniates.
;
loop_
_publ_author_name 'Patry, M'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_coden_ASTM COREAF
_journal_volume 202
_journal_year 1936
_journal_page_first 1516
_journal_page_last 1519
_cell_length_a 7.9
_cell_length_b 10.5
_cell_length_c 6.25
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 518.4
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010808
|
1010809.cif | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010809.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010809
loop_
_publ_author_name
'Hocart, R'
'Fallot, M'
_publ_section_title
;
Structure et proprietes magnetiques du borure de manganese Mn B.
;
_journal_coden_ASTM COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first 1062
_journal_page_last 1064
_journal_volume 203
_journal_year 1936
_chemical_formula_structural 'Mn B'
_chemical_formula_sum 'B Mn'
_chemical_name_systematic 'Manganese(III) boride'
_space_group_IT_number 52
_symmetry_cell_setting orthorhombic
_symmetry_Int_Tables_number 52
_symmetry_space_group_name_Hall '-P 2a 2bc'
_symmetry_space_group_name_H-M 'P n n a'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
_cell_length_a 2.95
_cell_length_b 11.5
_cell_length_c 4.1
_cell_volume 139.1
_exptl_crystal_density_meas 6.12
_cod_database_code 1010809
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,-y,z
x,1/2-y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2+x,y,-z
-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010810.cif | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010810.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010810
loop_
_publ_author_name
'Bassiere, M'
_publ_section_title 'Sur la structure de l'azoture de cadmium.'
_journal_coden_ASTM COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first 1573
_journal_page_last 1574
_journal_volume 204
_journal_year 1937
_chemical_formula_structural 'Cd (N3)2'
_chemical_formula_sum 'Cd N6'
_chemical_name_systematic 'Cadmium azide'
_space_group_IT_number 61
_symmetry_cell_setting orthorhombic
_symmetry_Int_Tables_number 61
_symmetry_space_group_name_Hall '-P 2ac 2ab'
_symmetry_space_group_name_H-M 'P b c a'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
_cell_length_a 7.82(2)
_cell_length_b 6.46(3)
_cell_length_c 16.04(8)
_cell_volume 810.3
_exptl_crystal_density_meas 3.24
_cod_database_code 1010810
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,-z
-x,1/2+y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,z
x,1/2-y,1/2+z
1/2+x,y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010811.cif | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010811.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010811
loop_
_publ_author_name
'Silberstein, A'
_publ_section_title
;
Etude cristallographique du bromure double de cuivre et de potassium.
;
_journal_coden_ASTM COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first 540
_journal_page_last 542
_journal_volume 209
_journal_year 1939
_chemical_formula_structural 'K Cu Br3'
_chemical_formula_sum 'Br3 Cu K'
_chemical_name_systematic 'Potassium copper bromide'
_space_group_IT_number 11
_symmetry_cell_setting monoclinic
_symmetry_Int_Tables_number 11
_symmetry_space_group_name_Hall '-P 2yb'
_symmetry_space_group_name_H-M 'P 1 21/m 1'
_cell_angle_alpha 90
_cell_angle_beta 108.38(2)
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 4.28
_cell_length_b 14.43
_cell_length_c 9.68
_cell_volume 567.3
_exptl_crystal_density_meas 3.92
_cod_database_code 1010811
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,-z
-x,-y,-z
x,1/2-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010812.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010812.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010812
_chemical_name_systematic 'Dithallium cadmium hexanitroniccolate'
_chemical_formula_structural 'Tl2 Cd (Ni (N O2)6)'
_chemical_formula_sum 'Cd N6 Ni O12 Tl2'
_publ_section_title
;
Nichelnitriti misti di metalli monovalenti e bivalenti - Nota II
;
loop_
_publ_author_name
'Ferrari, A'
'Collo, C'
_journal_name_full 'Gazzetta Chimica Italiana'
_journal_coden_ASTM GCITA9
_journal_volume 65
_journal_year 1935
_journal_page_first 809
_journal_page_last 818
_cell_length_a 10.37
_cell_length_b 10.37
_cell_length_c 10.37
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1115.2
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010812
|
1010813.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010813.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010813
_chemical_name_systematic 'Dipotassium cadmium hexanitroniccolate'
_chemical_formula_structural 'K2 Cd (Ni (N O2)6)'
_chemical_formula_sum 'Cd K2 N6 Ni O12'
_publ_section_title
;
Nichelnitriti misti di metalli monovalenti e bivalenti - Nota II
;
loop_
_publ_author_name
'Ferrari, A'
'Colla, C'
_journal_name_full 'Gazzetta Chimica Italiana'
_journal_coden_ASTM GCITA9
_journal_volume 65
_journal_year 1935
_journal_page_first 809
_journal_page_last 818
_cell_length_a 10.28
_cell_length_b 10.28
_cell_length_c 10.28
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1086.4
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010813
|
1010814.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010814.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010814
_chemical_name_systematic 'Dicaesium cadmium hexanitroniccolate'
_chemical_formula_structural 'Cs2 Cd (Ni (N O2)6)'
_chemical_formula_sum 'Cd Cs2 N6 Ni O12'
_publ_section_title
;
Nichelnitriti misti di metalli monovalenti e bivalenti - Nota II
;
loop_
_publ_author_name
'Ferrari, A'
'Colla, C'
_journal_name_full 'Gazzetta Chimica Italiana'
_journal_coden_ASTM GCITA9
_journal_volume 65
_journal_year 1935
_journal_page_first 809
_journal_page_last 818
_cell_length_a 10.81
_cell_length_b 10.81
_cell_length_c 10.81
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1263.2
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010814
|
1010815.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010815.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010815
_chemical_name_systematic 'Dipotassium barium hexanitroferrate(II)'
_chemical_formula_structural 'K2 Ba (Fe (N O2)6)'
_chemical_formula_sum 'Ba Fe K2 N6 O12'
_publ_section_title
;
Nitriti complessi di ferro, cobalto, nichelio e rame: struttura e
suscettibilita magnetica
;
loop_
_publ_author_name
'Cambi, L'
'Ferrari, A'
_journal_name_full 'Gazzetta Chimica Italiana'
_journal_coden_ASTM GCITA9
_journal_volume 65
_journal_year 1935
_journal_page_first 1162
_journal_page_last 1190
_cell_length_a 10.43
_cell_length_b 10.43
_cell_length_c 10.43
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1134.6
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010815
|
1010816.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010816.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010816
_chemical_name_systematic 'Caesium hexanitrobismuthate(III)'
_chemical_formula_structural 'Cs3 (Bi (N O2)6)'
_chemical_formula_sum 'Bi Cs3 N6 O12'
_publ_section_title 'Ricerche sugli esabismutonitriti'
loop_
_publ_author_name
'Ferrari, A'
'Ciccioli, Z'
_journal_name_full 'Gazzetta Chimica Italiana'
_journal_coden_ASTM GCITA9
_journal_volume 66
_journal_year 1936
_journal_page_first 581
_journal_page_last 590
_cell_length_a 11.19
_cell_length_b 11.19
_cell_length_c 11.19
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1401.2
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010816
|
1010817.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 21:22:20 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278155 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010817.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010817
loop_
_publ_author_name
'Venturello, G'
_publ_section_title
;
Carbonato neutro e carbonati basici di berillio
;
_journal_coden_ASTM GCITA9
_journal_name_full 'Gazzetta Chimica Italiana'
_journal_page_first 73
_journal_page_last 86
_journal_volume 69
_journal_year 1939
_chemical_formula_structural 'Be C O3 (H2 O)4'
_chemical_formula_sum 'C H8 Be O7'
_chemical_name_systematic 'Beryllium carbonate tetrahydrate'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 0
_cell_length_a 5.12
_cell_length_b 5.12
_cell_length_c 15.77
_cell_volume 358.0
_cod_database_code 1010817
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2022-09-25T21:20:00+03:00
;
Corrected the summary chemical formula by changing it from 'H8 Be O7'
to 'C H8 Be O7'.
;
|
1010818.cif | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010818.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010818
loop_
_publ_author_name
'Rollier, M A'
'Cesoni, G'
_publ_section_title
;
La struttura dei sali di rame di alcuni complessi cianici. - Nota II.
La struttura del sale di rame del manganese-esacianuro.
;
_journal_coden_ASTM GCITA9
_journal_name_full 'Gazzetta Chimica Italiana'
_journal_page_first 674
_journal_page_last 679
_journal_volume 69
_journal_year 1939
_chemical_formula_structural 'Cu2 Mn (C N)6'
_chemical_formula_sum 'Cu2 Mn N6'
_chemical_name_systematic 'Dicopper manganese cyanide'
_space_group_IT_number 225
_symmetry_cell_setting cubic
_symmetry_Int_Tables_number 225
_symmetry_space_group_name_Hall '-F 4 2 3'
_symmetry_space_group_name_H-M 'F m -3 m'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 10.14
_cell_length_b 10.14
_cell_length_c 10.14
_cell_volume 1042.6
_cod_database_code 1010818
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
x,z,y
y,x,z
z,y,x
x,-y,-z
y,-z,-x
z,-x,-y
x,-z,-y
y,-x,-z
z,-y,-x
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-y,z,-x
-z,x,-y
-x,z,-y
-y,x,-z
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-y,-z,x
-z,-x,y
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-y,-x,z
-z,-y,x
-x,-y,-z
-y,-z,-x
-z,-x,-y
-x,-z,-y
-y,-x,-z
-z,-y,-x
-x,y,z
-y,z,x
-z,x,y
-x,z,y
-y,x,z
-z,y,x
x,-y,z
y,-z,x
z,-x,y
x,-z,y
y,-x,z
z,-y,x
x,y,-z
y,z,-x
z,x,-y
x,z,-y
y,x,-z
z,y,-x
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
x,1/2+z,1/2+y
1/2+x,z,1/2+y
1/2+x,1/2+z,y
y,1/2+x,1/2+z
1/2+y,x,1/2+z
1/2+y,1/2+x,z
z,1/2+y,1/2+x
1/2+z,y,1/2+x
1/2+z,1/2+y,x
x,1/2-y,1/2-z
1/2+x,-y,1/2-z
1/2+x,1/2-y,-z
y,1/2-z,1/2-x
1/2+y,-z,1/2-x
1/2+y,1/2-z,-x
z,1/2-x,1/2-y
1/2+z,-x,1/2-y
1/2+z,1/2-x,-y
x,1/2-z,1/2-y
1/2+x,-z,1/2-y
1/2+x,1/2-z,-y
y,1/2-x,1/2-z
1/2+y,-x,1/2-z
1/2+y,1/2-x,-z
z,1/2-y,1/2-x
1/2+z,-y,1/2-x
1/2+z,1/2-y,-x
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
-y,1/2+z,1/2-x
1/2-y,z,1/2-x
1/2-y,1/2+z,-x
-z,1/2+x,1/2-y
1/2-z,x,1/2-y
1/2-z,1/2+x,-y
-x,1/2+z,1/2-y
1/2-x,z,1/2-y
1/2-x,1/2+z,-y
-y,1/2+x,1/2-z
1/2-y,x,1/2-z
1/2-y,1/2+x,-z
-z,1/2+y,1/2-x
1/2-z,y,1/2-x
1/2-z,1/2+y,-x
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
-y,1/2-z,1/2+x
1/2-y,-z,1/2+x
1/2-y,1/2-z,x
-z,1/2-x,1/2+y
1/2-z,-x,1/2+y
1/2-z,1/2-x,y
-x,1/2-z,1/2+y
1/2-x,-z,1/2+y
1/2-x,1/2-z,y
-y,1/2-x,1/2+z
1/2-y,-x,1/2+z
1/2-y,1/2-x,z
-z,1/2-y,1/2+x
1/2-z,-y,1/2+x
1/2-z,1/2-y,x
-x,1/2-y,1/2-z
1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
-y,1/2-z,1/2-x
1/2-y,-z,1/2-x
1/2-y,1/2-z,-x
-z,1/2-x,1/2-y
1/2-z,-x,1/2-y
1/2-z,1/2-x,-y
-x,1/2-z,1/2-y
1/2-x,-z,1/2-y
1/2-x,1/2-z,-y
-y,1/2-x,1/2-z
1/2-y,-x,1/2-z
1/2-y,1/2-x,-z
-z,1/2-y,1/2-x
1/2-z,-y,1/2-x
1/2-z,1/2-y,-x
-x,1/2+y,1/2+z
1/2-x,y,1/2+z
1/2-x,1/2+y,z
-y,1/2+z,1/2+x
1/2-y,z,1/2+x
1/2-y,1/2+z,x
-z,1/2+x,1/2+y
1/2-z,x,1/2+y
1/2-z,1/2+x,y
-x,1/2+z,1/2+y
1/2-x,z,1/2+y
1/2-x,1/2+z,y
-y,1/2+x,1/2+z
1/2-y,x,1/2+z
1/2-y,1/2+x,z
-z,1/2+y,1/2+x
1/2-z,y,1/2+x
1/2-z,1/2+y,x
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
1/2+x,1/2-y,z
y,1/2-z,1/2+x
1/2+y,-z,1/2+x
1/2+y,1/2-z,x
z,1/2-x,1/2+y
1/2+z,-x,1/2+y
1/2+z,1/2-x,y
x,1/2-z,1/2+y
1/2+x,-z,1/2+y
1/2+x,1/2-z,y
y,1/2-x,1/2+z
1/2+y,-x,1/2+z
1/2+y,1/2-x,z
z,1/2-y,1/2+x
1/2+z,-y,1/2+x
1/2+z,1/2-y,x
x,1/2+y,1/2-z
1/2+x,y,1/2-z
1/2+x,1/2+y,-z
y,1/2+z,1/2-x
1/2+y,z,1/2-x
1/2+y,1/2+z,-x
z,1/2+x,1/2-y
1/2+z,x,1/2-y
1/2+z,1/2+x,-y
x,1/2+z,1/2-y
1/2+x,z,1/2-y
1/2+x,1/2+z,-y
y,1/2+x,1/2-z
1/2+y,x,1/2-z
1/2+y,1/2+x,-z
z,1/2+y,1/2-x
1/2+z,y,1/2-x
1/2+z,1/2+y,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010819.cif | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010819.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010819
loop_
_publ_author_name
'Rollier, M A'
'Arreghini, E'
_publ_section_title
;
La struttura dei sali di rame di alcuni complessi cianici. - Nota I.
Struttura dei sali di rame degli esacianuri del cobalto e del cromo.
;
_journal_coden_ASTM GCITA9
_journal_name_full 'Gazzetta Chimica Italiana'
_journal_page_first 499
_journal_page_last 508
_journal_volume 69
_journal_year 1939
_chemical_formula_structural 'Cu3 (Co (C N)6)2'
_chemical_formula_sum 'Co2 Cu3 N12'
_chemical_name_systematic 'Copper hexacyanocobaltate'
_space_group_IT_number 225
_symmetry_cell_setting cubic
_symmetry_Int_Tables_number 225
_symmetry_space_group_name_Hall '-F 4 2 3'
_symmetry_space_group_name_H-M 'F m -3 m'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 2
_cell_length_a 9.91(5)
_cell_length_b 9.91(5)
_cell_length_c 9.91(5)
_cell_volume 973.2
_cod_database_code 1010819
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
x,z,y
y,x,z
z,y,x
x,-y,-z
y,-z,-x
z,-x,-y
x,-z,-y
y,-x,-z
z,-y,-x
-x,y,-z
-y,z,-x
-z,x,-y
-x,z,-y
-y,x,-z
-z,y,-x
-x,-y,z
-y,-z,x
-z,-x,y
-x,-z,y
-y,-x,z
-z,-y,x
-x,-y,-z
-y,-z,-x
-z,-x,-y
-x,-z,-y
-y,-x,-z
-z,-y,-x
-x,y,z
-y,z,x
-z,x,y
-x,z,y
-y,x,z
-z,y,x
x,-y,z
y,-z,x
z,-x,y
x,-z,y
y,-x,z
z,-y,x
x,y,-z
y,z,-x
z,x,-y
x,z,-y
y,x,-z
z,y,-x
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
x,1/2+z,1/2+y
1/2+x,z,1/2+y
1/2+x,1/2+z,y
y,1/2+x,1/2+z
1/2+y,x,1/2+z
1/2+y,1/2+x,z
z,1/2+y,1/2+x
1/2+z,y,1/2+x
1/2+z,1/2+y,x
x,1/2-y,1/2-z
1/2+x,-y,1/2-z
1/2+x,1/2-y,-z
y,1/2-z,1/2-x
1/2+y,-z,1/2-x
1/2+y,1/2-z,-x
z,1/2-x,1/2-y
1/2+z,-x,1/2-y
1/2+z,1/2-x,-y
x,1/2-z,1/2-y
1/2+x,-z,1/2-y
1/2+x,1/2-z,-y
y,1/2-x,1/2-z
1/2+y,-x,1/2-z
1/2+y,1/2-x,-z
z,1/2-y,1/2-x
1/2+z,-y,1/2-x
1/2+z,1/2-y,-x
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
-y,1/2+z,1/2-x
1/2-y,z,1/2-x
1/2-y,1/2+z,-x
-z,1/2+x,1/2-y
1/2-z,x,1/2-y
1/2-z,1/2+x,-y
-x,1/2+z,1/2-y
1/2-x,z,1/2-y
1/2-x,1/2+z,-y
-y,1/2+x,1/2-z
1/2-y,x,1/2-z
1/2-y,1/2+x,-z
-z,1/2+y,1/2-x
1/2-z,y,1/2-x
1/2-z,1/2+y,-x
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
-y,1/2-z,1/2+x
1/2-y,-z,1/2+x
1/2-y,1/2-z,x
-z,1/2-x,1/2+y
1/2-z,-x,1/2+y
1/2-z,1/2-x,y
-x,1/2-z,1/2+y
1/2-x,-z,1/2+y
1/2-x,1/2-z,y
-y,1/2-x,1/2+z
1/2-y,-x,1/2+z
1/2-y,1/2-x,z
-z,1/2-y,1/2+x
1/2-z,-y,1/2+x
1/2-z,1/2-y,x
-x,1/2-y,1/2-z
1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
-y,1/2-z,1/2-x
1/2-y,-z,1/2-x
1/2-y,1/2-z,-x
-z,1/2-x,1/2-y
1/2-z,-x,1/2-y
1/2-z,1/2-x,-y
-x,1/2-z,1/2-y
1/2-x,-z,1/2-y
1/2-x,1/2-z,-y
-y,1/2-x,1/2-z
1/2-y,-x,1/2-z
1/2-y,1/2-x,-z
-z,1/2-y,1/2-x
1/2-z,-y,1/2-x
1/2-z,1/2-y,-x
-x,1/2+y,1/2+z
1/2-x,y,1/2+z
1/2-x,1/2+y,z
-y,1/2+z,1/2+x
1/2-y,z,1/2+x
1/2-y,1/2+z,x
-z,1/2+x,1/2+y
1/2-z,x,1/2+y
1/2-z,1/2+x,y
-x,1/2+z,1/2+y
1/2-x,z,1/2+y
1/2-x,1/2+z,y
-y,1/2+x,1/2+z
1/2-y,x,1/2+z
1/2-y,1/2+x,z
-z,1/2+y,1/2+x
1/2-z,y,1/2+x
1/2-z,1/2+y,x
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
1/2+x,1/2-y,z
y,1/2-z,1/2+x
1/2+y,-z,1/2+x
1/2+y,1/2-z,x
z,1/2-x,1/2+y
1/2+z,-x,1/2+y
1/2+z,1/2-x,y
x,1/2-z,1/2+y
1/2+x,-z,1/2+y
1/2+x,1/2-z,y
y,1/2-x,1/2+z
1/2+y,-x,1/2+z
1/2+y,1/2-x,z
z,1/2-y,1/2+x
1/2+z,-y,1/2+x
1/2+z,1/2-y,x
x,1/2+y,1/2-z
1/2+x,y,1/2-z
1/2+x,1/2+y,-z
y,1/2+z,1/2-x
1/2+y,z,1/2-x
1/2+y,1/2+z,-x
z,1/2+x,1/2-y
1/2+z,x,1/2-y
1/2+z,1/2+x,-y
x,1/2+z,1/2-y
1/2+x,z,1/2-y
1/2+x,1/2+z,-y
y,1/2+x,1/2-z
1/2+y,x,1/2-z
1/2+y,1/2+x,-z
z,1/2+y,1/2-x
1/2+z,y,1/2-x
1/2+z,1/2+y,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010820.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010820.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010820
_chemical_name_systematic 'Copper hexacyanochromate(II)'
_chemical_formula_structural 'Cu2 Cr (C N)6'
_chemical_formula_sum 'Cr Cu2 N6'
_publ_section_title
;
La struttura dei sali di rame di alcuni complessi cianici. - Nota I.
Struttura dei sali di rame degli esacianuri del cobalto e del cromo.
;
loop_
_publ_author_name 'Rollier, M A'
_journal_name_full 'Gazzetta Chimica Italiana'
_journal_coden_ASTM GCITA9
_journal_volume 69
_journal_year 1939
_journal_page_first 499
_journal_page_last 508
_cell_length_a 10.22
_cell_length_b 10.22
_cell_length_c 10.22
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1067.5
_cell_formula_units_Z 4
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010820
|
1010821.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010821.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010821
loop_
_publ_author_name
'Zedlitz, O'
_publ_section_title
;
Untersuchungen an Perowskit, Uhligit und Dysanalyt
;
_journal_coden_ASTM FMRLAL
_journal_name_full 'Fortschritte der Mineralogie'
_journal_page_first 66
_journal_page_last 68
_journal_volume 20
_journal_year 1936
_chemical_formula_structural 'Ca0.34 Al2 Ti0.6 Zr0.18 O5'
_chemical_formula_sum 'Al2 Ca0.34 O5 Ti0.6 Zr0.18'
_chemical_name_mineral Uhligite
_chemical_name_systematic
;
Calcium aluminium titanium zirconium oxide (0.34/2/0.6/0.18/5)
;
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 7.64
_cell_length_b 7.64
_cell_length_c 7.64
_cell_volume 445.9
_cod_original_formula_sum 'Al2 Ca.34 O5 Ti.6 Zr.18'
_cod_database_code 1010821
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010822.cif | #------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010822.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010822
_chemical_name_systematic 'Dodecatungstosilicic acid'
_chemical_formula_structural 'H4 (Si (W3 O10)4)'
_chemical_formula_sum 'H4 O40 Si W12'
_publ_section_title 'Ueber den Bau einiqer Heteropolysaeuren'
loop_
_publ_author_name
'Signer, R'
'Gross, H'
_journal_name_full 'Helvetica Chimica Acta'
_journal_coden_ASTM HCACAV
_journal_volume 17
_journal_year 1934
_journal_page_first 1076
_journal_page_last 1080
_cell_length_a 12.11(1)
_cell_length_b 12.11(1)
_cell_length_c 12.11(1)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1776.0
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010822
_journal_paper_doi 10.1002/hlca.193401701135
|
1010823.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010823.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010823
loop_
_publ_author_name
'Signer, R'
'Gross, H'
_publ_section_title 'Ueber den Bau einiger Heteropolysaeuren'
_journal_coden_ASTM HCACAV
_journal_name_full 'Helvetica Chimica Acta'
_journal_page_first 1076
_journal_page_last 1080
_journal_paper_doi 10.1002/hlca.193401701135
_journal_volume 17
_journal_year 1934
_chemical_formula_structural 'H5 (B (W3 O10)4)'
_chemical_formula_sum 'B H5 O40 W12'
_chemical_name_systematic 'Dodecatungstoboric acid'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 0
_cell_length_a 12.11(1)
_cell_length_b 12.11(1)
_cell_length_c 12.11(1)
_cell_volume 1776.0
_cod_original_formula_sum 'H5 B O40 W12'
_cod_database_code 1010823
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010824.cif | #------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010824.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010824
_chemical_name_systematic 'Dodecatungstic acid'
_chemical_formula_structural 'H8 (W3 O10)4'
_chemical_formula_sum 'H8 O40 W12'
_publ_section_title 'Ueber den Bau einiger Heteropolysaeuren'
loop_
_publ_author_name
'Signer, R'
'Gross, H'
_journal_name_full 'Helvetica Chimica Acta'
_journal_coden_ASTM HCACAV
_journal_volume 17
_journal_year 1934
_journal_page_first 1076
_journal_page_last 1080
_cell_length_a 12.13(3)
_cell_length_b 12.13(3)
_cell_length_c 12.13(3)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1784.8
_cell_formula_units_Z 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010824
_journal_paper_doi 10.1002/hlca.193401701135
|
1010825.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010825.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010825
loop_
_publ_author_name
'Feitknecht, W'
'Fischer, G'
_publ_section_title
;
Zur Chemie und Morphologie der basischen Salze zweiwertiger Metalle.
III. Ueber basische Kobaltchloride.
;
_journal_coden_ASTM HCACAV
_journal_name_full 'Helvetica Chimica Acta'
_journal_page_first 555
_journal_page_last 569
_journal_paper_doi 10.1002/hlca.19350180175
_journal_volume 18
_journal_year 1935
_chemical_formula_structural 'Co5 (O H)9 Cl (H2 O)4'
_chemical_formula_sum 'Cl Co5 H17 O13'
_chemical_name_systematic
;
Pentacobalt nonahydroxide chloride tetrahydrate
;
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_cell_length_a 3.15
_cell_length_b 3.15
_cell_length_c 24.4
_cell_volume 209.7
_cod_original_formula_sum 'H17 Cl Co5 O13'
_cod_database_code 1010825
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010826.cif | #------------------------------------------------------------------------------
#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010826.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010826
loop_
_publ_author_name
'Aminoff, G'
_publ_section_title
;
Zur Kristallographie des Trimerits. Ein Beitrag zur Kenntnis der
Pseudosymmetrie.
;
_journal_coden_ASTM GFSFA4
_journal_name_full
;
Geologiska Foereningens i Stockholm Foerhandlingar
;
_journal_page_first 19
_journal_page_last 43
_journal_volume 48
_journal_year 1926
_chemical_compound_source 'from Langban, Sweden'
_chemical_formula_structural 'Be3 Ca Mn2 (Si O4)3'
_chemical_formula_sum 'Be3 Ca Mn2 O12 Si3'
_chemical_name_mineral Trimerite
_chemical_name_systematic 'Triberyllium calcium dimanganese silicate'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 48
_cell_length_a 7.6
_cell_length_b 16.11
_cell_length_c 27.9
_cell_volume 3416.0
_cod_database_code 1010826
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010827.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010827.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010827
loop_
_publ_author_name
'Rosen, O'
'Westgren, A'
_publ_section_title
;
Minerals of the Varutraesk Pegmatite. XII. On the Structure and the
Composition of Minerals belonging to the Pyrochlore-Atopite Group and
an X-Ray Analysis of disintegrated Stibio-Microlite.
;
_journal_coden_ASTM GFSFA4
_journal_name_full
;
Geologiska Foereningens i Stockholm Foerhandlingar
;
_journal_page_first 226
_journal_page_last 235
_journal_volume 60
_journal_year 1938
_chemical_compound_source 'from the Varutraesk Pegmatite'
_chemical_formula_structural 'Ca Na Ta2 O6 (O H F)0.5'
_chemical_formula_sum 'Ca F0.5 H0.5 Na O6.5 Ta2'
_chemical_name_mineral Stibiomicrolite
_chemical_name_systematic
;
Calcium sodium bis(tantalate) hemihydroxide hemifluoride
;
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_cell_length_a 4.92
_cell_length_b 5.54
_cell_length_c 11.78
_cell_volume 321.1
_cod_original_formula_sum 'H.5 Ca F.5 Na O6.5 Ta2'
_cod_database_code 1010827
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010828.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010828.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010828
loop_
_publ_author_name
'Ferrari, A'
'Leandro, C'
_publ_section_title 'Cobaltinitriti dei metalli bivalenti.'
_journal_coden_ASTM GCITA9
_journal_name_full 'Gazzetta Chimica Italiana'
_journal_page_first 3
_journal_page_last 10
_journal_volume 69
_journal_year 1939
_chemical_formula_structural 'Pb3 (Co (N O2)6)2 (H2 O)12'
_chemical_formula_sum 'Co2 H24 N12 O36 Pb3'
_chemical_name_systematic 'Lead hexanitrocobaltate dodecahydrate'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_cell_length_a 10.42
_cell_length_b 10.42
_cell_length_c 10.42
_cell_volume 1131.4
_cod_original_formula_sum 'H24 Co2 N12 O36 Pb3'
_cod_database_code 1010828
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010829.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010829.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010829
loop_
_publ_author_name
'Ferrari, A'
'Coghi, L'
_publ_section_title 'Cobaltinitriti dei metalli bivalenti.'
_journal_coden_ASTM GCITA9
_journal_name_full 'Gazzetta Chimica Italiana'
_journal_page_first 3
_journal_page_last 10
_journal_volume 69
_journal_year 1939
_chemical_formula_structural 'Ba3 (Co (N O2)6)2 (H2 O)12'
_chemical_formula_sum 'Ba3 Co2 H24 N12 O36'
_chemical_name_systematic 'Barium hexanitrocobaltate dodecahydrate'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_cell_length_a 10.57
_cell_length_b 10.57
_cell_length_c 10.57
_cell_volume 1180.9
_cod_original_formula_sum 'H24 Ba3 Co2 N12 O36'
_cod_database_code 1010829
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010830.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010830.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010830
loop_
_publ_author_name
'Ferrari, A'
'Nanni, O'
_publ_section_title
;
Ricerche sui sali degli eteropoliacidi. - I. Struttura dei fosfo- e
degli arsenidodecamolibdati e dei fosfo- e degli arsenidodecawolframati
di ammonio, di potassio e di tallio.
;
_journal_coden_ASTM GCITA9
_journal_name_full 'Gazzetta Chimica Italiana'
_journal_page_first 301
_journal_page_last 314
_journal_volume 69
_journal_year 1939
_chemical_formula_structural '(N H4)3 As O4 (Mo O3)12 (H2 O)4'
_chemical_formula_sum 'As H20 Mo12 N3 O44'
_chemical_name_systematic
;
Triammonium dodecamolybdoarsenate tetrahydrate
;
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 2
_cell_length_a 11.8
_cell_length_b 11.8
_cell_length_c 11.8
_cell_volume 1643.0
_exptl_crystal_density_meas 3.45
_cod_original_formula_sum 'H20 As Mo12 N3 O44'
_cod_database_code 1010830
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010831.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010831.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010831
_chemical_name_systematic 'Dirubidium silver hexanitrocobaltate'
_chemical_formula_structural 'Rb2 Ag Co (N O2)6'
_chemical_formula_sum 'Ag Co N6 O12 Rb2'
_publ_section_title 'Cobaltinitriti misti.'
loop_
_publ_author_name
'Ferrari, A'
'Coghi, L'
'Piovosi, N'
_journal_name_full 'Gazzetta Chimica Italiana'
_journal_coden_ASTM GCITA9
_journal_volume 70
_journal_year 1940
_journal_page_first 812
_journal_page_last 822
_cell_length_a 10.41
_cell_length_b 10.41
_cell_length_c 10.41
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1128.1
_cell_formula_units_Z 1
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010831
|
1010832.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010832.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010832
loop_
_publ_author_name
'Ferrari, A'
'Coghi, L'
'Piovosi, N'
_publ_section_title 'Cobaltinitriti misti.'
_journal_coden_ASTM GCITA9
_journal_name_full 'Gazzetta Chimica Italiana'
_journal_page_first 812
_journal_page_last 822
_journal_volume 70
_journal_year 1940
_chemical_formula_structural '(N H4)2 Ag Co (N O2)6'
_chemical_formula_sum 'Ag Co H8 N8 O12'
_chemical_name_systematic 'Diammonium silver hexanitrocobaltate'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_cell_length_a 10.33
_cell_length_b 10.33
_cell_length_c 10.33
_cell_volume 1102.3
_cod_original_formula_sum 'H8 Ag Co N8 O12'
_cod_database_code 1010832
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010833.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010833.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010833
_chemical_name_systematic 'Dithallium silver hexanitrocobaltate'
_chemical_formula_structural 'Tl2 Ag Co (N O2)6'
_chemical_formula_sum 'Ag Co N6 O12 Tl2'
_publ_section_title 'Cobaltinitriti misti.'
loop_
_publ_author_name
'Ferrari, A'
'Coghi, L'
'Piovosi, N'
_journal_name_full 'Gazzetta Chimica Italiana'
_journal_coden_ASTM GCITA9
_journal_volume 70
_journal_year 1940
_journal_page_first 812
_journal_page_last 822
_cell_length_a 10.39
_cell_length_b 10.39
_cell_length_c 10.39
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1121.6
_cell_formula_units_Z 1
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010833
|
1010834.cif | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010834.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010834
loop_
_publ_author_name
'Zintl, E'
'Huseman, E'
_publ_section_title
;
Bindungsart und Gitterbau binaerer Magnesiumverbindungen. (12.
Mitteilung ueber Metalle und Legierungen.)
;
_journal_coden_ASTM ZPCBAL
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_page_first 138
_journal_page_last 155
_journal_volume 21
_journal_year 1933
_chemical_formula_structural 'Mg3 Bi2'
_chemical_formula_sum 'Bi2 Mg3'
_chemical_name_systematic 'Magnesium bismuth (3/2)'
_space_group_IT_number 164
_symmetry_cell_setting trigonal
_symmetry_Int_Tables_number 164
_symmetry_space_group_name_Hall '-P 3 2"'
_symmetry_space_group_name_H-M 'P -3 m 1'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_cell_length_a 4.666
_cell_length_b 4.666
_cell_length_c 7.401
_cell_volume 139.5
_cod_database_code 1010834
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-y,-x,z
x,x-y,z
y-x,y,z
-x,-y,-z
y,y-x,-z
x-y,x,-z
y,x,-z
-x,y-x,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010835.cif | #------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010835.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010835
loop_
_publ_author_name
'Buschendorf, F'
_publ_section_title 'Die Kristallstruktur des Silberperrhenats.'
_journal_coden_ASTM ZPCBAL
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_page_first 237
_journal_page_last 244
_journal_volume 20
_journal_year 1933
_chemical_formula_structural 'Ag Re O4'
_chemical_formula_sum 'Ag O4 Re'
_chemical_name_systematic 'Silver rhenate'
_space_group_IT_number 88
_symmetry_cell_setting tetragonal
_symmetry_Int_Tables_number 88
_symmetry_space_group_name_Hall '-I 4ad'
_symmetry_space_group_name_H-M 'I 41/a :2'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 5.35(3)
_cell_length_b 5.35(3)
_cell_length_c 11.92(3)
_cell_volume 341.2
_exptl_crystal_density_meas 7.05
_cod_original_sg_symbol_H-M 'I 41/a Z'
_cod_database_code 1010835
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2-y,z
3/4-y,1/4+x,1/4+z
1/4+y,1/4-x,1/4+z
-x,-y,-z
x,1/2+y,-z
1/4+y,3/4-x,3/4-z
3/4-y,3/4+x,3/4-z
1/2+x,1/2+y,1/2+z
1/2-x,-y,1/2+z
1/4-y,3/4+x,3/4+z
3/4+y,3/4-x,3/4+z
1/2-x,1/2-y,1/2-z
1/2+x,y,1/2-z
3/4+y,1/4-x,1/4-z
1/4-y,1/4+x,1/4-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010836.cif | #------------------------------------------------------------------------------
#$Date: 2018-08-07 15:37:20 +0300 (Tue, 07 Aug 2018) $
#$Revision: 209441 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010836.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010836
loop_
_publ_author_name
'Blum, H'
_publ_section_title
;
Die Kristallstruktur des wasserfreien Magnesiumjodids und Calciumjodids.
;
_journal_coden_ASTM ZPCBAL
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_page_first 298
_journal_page_last 304
_journal_volume 22
_journal_year 1933
_chemical_formula_structural 'Ca I2'
_chemical_formula_sum 'Ca I2'
_chemical_name_systematic 'Calcium iodide'
_space_group_IT_number 164
_symmetry_cell_setting trigonal
_symmetry_Int_Tables_number 164
_symmetry_space_group_name_Hall '-P 3 2"'
_symmetry_space_group_name_H-M 'P -3 m 1'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_cell_length_a 4.48(2)
_cell_length_b 4.48(2)
_cell_length_c 6.96(3)
_cell_volume 121.0
_exptl_crystal_density_meas 3.96
_cod_depositor_comments
;
Adding the _citation_author_ordinal data item.
Antanas Vaitkus,
2018-08-07
Coordinates in this entry were found by Dr. Prof. Ren\'e Boer\'e and
send by e-mail:
> From: "Boere, Rene" <boere@??????.ca>
> To: "Saulius Gra\<zulis" <grazulis@??????.lt>
> Date: 2012-02-06 00:04
>
> ... We too do not have the Blum article but I have requested the
> library to get me a copy. I have edited your CIF file to give a
> structure which is very close to octahedral (linear for all I-Ca-I
> trans links, close to but not exact 90 deg I-Ca-I cis links.) If
> Blum reports any different from this I will let you know once I
> receive the article. I obtained these coordinates from the
> supporting information to a paper:
> http://0-pubs.acs.org.darius.uleth.ca/doi/suppl/10.1021/jp108237x/suppl_file/jp108237x_si_001.pdf
>
> The paper is: Cory M. Widdifield and David L. Bryce, J. Phys. Chem. A,
> 2010, 114 (40), pp 10810--10823. These authors cite Blum as the source
> of the structural data. There does not seem to have been a
> redetermination undertaken since 1933.
>
> With best regards,
> Ren\'e Boer\'e
Saulius Gra\<zulis
2012-02-06
;
_cod_database_code 1010836
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-y,-x,z
x,x-y,z
y-x,y,z
-x,-y,-z
y,y-x,-z
x-y,x,-z
y,x,-z
-x,y-x,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca 0.0 0.0 0.0
I 0.33333 0.666667 0.25000
loop_
_citation_author_citation_id
_citation_author_ordinal
_citation_author_name
1 1 'Cory M. Widdifield'
1 2 'David L. Bryce'
loop_
_citation_id
_citation_coordinate_linkage
_citation_title
_citation_country
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_journal_issue
_citation_page_first
_citation_page_last
_cod_citation_special_details
1 yes
;Solid-State ^127^I NMR and GIPAW DFT Study of Metal Iodides and Their
Hydrates: Structure, Symmetry, and Higher-Order Quadrupole-Induced
Effects
;
USA 'J. Phys. Chem. A' 2010 114 40 10810 10823
;
Coordinates in this COD entry are presented as published in the
supplementary data of Cory M. Widdifield and David L. Bryce,
J. Phys. Chem. A, 2010, 114 (40), pp 10810--10823 (DOI:
10.1021/jp108237x , paper URL:
http://pubs.acs.org/doi/abs/10.1021/jp108237x , supplementary material
URL: http://pubs.acs.org/doi/suppl/10.1021/jp108237x).
Saulius Gra\<zulis
2012.02.06
;
|
1010837.cif | #------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010837.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010837
_chemical_name_systematic 'Zinc dichromium sulfide'
_chemical_formula_structural 'Zn Cr2 S4'
_chemical_formula_sum 'Cr2 S4 Zn'
_publ_section_title
;
Austauschreaktionen zwischen fein verteilten kristallinen Phasen und
Gasen.
;
loop_
_publ_author_name
'Hertel, E'
'Holt, H von'
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_coden_ASTM ZPCBAL
_journal_volume 28
_journal_year 1935
_journal_page_first 393
_journal_page_last 401
_cell_length_a 9.8
_cell_length_b 9.8
_cell_length_c 9.8
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 941.2
_cell_formula_units_Z 8
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010837
_journal_paper_doi 10.1524/zpch.1961.28.5_6.393
|
1010838.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010838.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010838
loop_
_publ_author_name
'Stackelberg, M von'
'Quatram, F'
_publ_section_title 'Die Struktur des Berylliumcarbids Be~2~ C.'
_journal_coden_ASTM ZPCBAL
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_page_first 50
_journal_page_last 52
_journal_volume 27
_journal_year 1934
_chemical_formula_structural 'Be2 C'
_chemical_formula_sum 'C Be2'
_chemical_name_systematic 'Beryllium carbide'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 4.33(1)
_cell_length_b 4.33(1)
_cell_length_c 4.33(1)
_cell_volume 81.2
_exptl_crystal_density_meas 2.32
_cod_original_formula_sum 'Be2 C'
_cod_database_code 1010838
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010839.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010839.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010839
_chemical_name_systematic 'Aluminium boride (1/2)'
_chemical_formula_structural 'Al B2'
_chemical_formula_sum 'Al B2'
_publ_section_title 'Die Struktur von Aluminiumborid Al B~2~'
loop_
_publ_author_name
'Hofmann, W'
'Jaeniche, W'
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_coden_ASTM ZPCBAL
_journal_volume 31
_journal_year 1936
_journal_page_first 214
_journal_page_last 222
_cell_length_a 3.00(1)
_cell_length_b 3.00(1)
_cell_length_c 3.25(1)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 25.3
_cell_formula_units_Z 1
_exptl_crystal_density_meas 2.84
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010839
|
1010840.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010840.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010840
_chemical_name_systematic 'Cobalt silicide'
_chemical_formula_structural 'Co2 Si'
_chemical_formula_sum 'Co2 Si'
_publ_section_title
;
Kristallstruktur und Zusammensetzung des rhombischen Kobaltsilicides.
;
loop_
_publ_author_name
'Boren, B'
'Stahl, S'
'Westgren, A'
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_coden_ASTM ZPCBAL
_journal_volume 29
_journal_year 1935
_journal_page_first 231
_journal_page_last 235
_cell_length_a 7.095(3)
_cell_length_b 4.908(3)
_cell_length_c 3.730(3)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 129.9
_cell_formula_units_Z 4
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010840
|
1010841.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010841.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010841
_chemical_name_systematic 'Radium fluoride'
_chemical_formula_structural 'Ra F2'
_chemical_formula_sum 'F2 Ra'
_publ_section_title 'Die Kristallstruktur von Radiumfluorid.'
loop_
_publ_author_name 'Schulze, G E R'
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_coden_ASTM ZPCBAL
_journal_volume 32
_journal_year 1936
_journal_page_first 430
_journal_page_last 432
_cell_length_a 6.368(3)
_cell_length_b 6.368(3)
_cell_length_c 6.368(3)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 258.2
_cell_formula_units_Z 4
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010841
|
1010842.cif | #------------------------------------------------------------------------------
#$Date: 2018-01-14 23:47:05 +0200 (Sun, 14 Jan 2018) $
#$Revision: 205204 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010842.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010842
loop_
_publ_author_name
'Finbak, Chr.'
'Hassel, O.'
_publ_section_title
;
Rotation von Anionpolyedern in kubischen Kristallgittern. III. Die Nitrate
;
_journal_coden_ASTM ZPCBAL
_journal_issue 1
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_page_first 25
_journal_page_last 28
_journal_paper_doi 10.1515/zpch-1937-3504
_journal_volume 35
_journal_year 1937
_chemical_formula_structural 'Cs N O3'
_chemical_formula_sum 'Cs N O3'
_chemical_name_systematic 'Caesium nitrate'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_length_a 4.49
_cell_length_b 4.49
_cell_length_c 4.49
_cell_volume 90.5
_cod_database_code 1010842
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010843.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 21:28:27 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278156 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010843.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010843
loop_
_publ_author_name
'Brill, R'
'Mark, H'
_publ_section_title
;
Roentgenographische Studien am Abbau komplexer Eisencyanide.
;
_journal_coden_ASTM ZPCLAH
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie (Leipzig)
;
_journal_page_first 443
_journal_page_last 455
_journal_volume 133
_journal_year 1928
_chemical_formula_structural '(N H4)4 Fe (C N)6'
_chemical_formula_sum 'C6 H16 Fe N10'
_chemical_name_systematic 'Tetrakis(ammonium) iron cyanide'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 0
_cell_length_a 2.863
_cell_length_b 2.863
_cell_length_c 2.863
_cell_volume 23.5
_cod_database_code 1010843
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2022-09-25T21:25:00+03:00
;
Corrected the summary chemical formula by changing it from 'H16 Fe N10'
to 'C6 H16 Fe N10'.
;
|
1010844.cif | #------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010844.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010844
_chemical_name_systematic 'Tricaesium diarsenic chloride'
_chemical_formula_structural 'Cs3 As2 Cl9'
_chemical_formula_sum 'As2 Cl9 Cs3'
_publ_section_title
;
The structure of Caesium Enneachlordiarsenite
;
loop_
_publ_author_name
'Hoard, J L'
'Goldstein, L'
_journal_name_full 'Journal of Chemical Physics'
_journal_coden_ASTM JCPSA6
_journal_volume 3
_journal_year 1935
_journal_page_first 117
_journal_page_last 122
_cell_length_a 7.37
_cell_length_b 7.37
_cell_length_c 8.91
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 419.1
_cell_formula_units_Z 1
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010844
_journal_paper_doi 10.1063/1.1749606
|
1010845.cif | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010845.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010845
loop_
_publ_author_name
'Kassatochkin, W'
'Kotow, W'
_publ_section_title 'Structure of Potassium Tetroxide'
_journal_coden_ASTM JCPSA6
_journal_name_full 'Journal of Chemical Physics'
_journal_page_first 458
_journal_page_last 458
_journal_volume 4
_journal_year 1936
_chemical_formula_structural 'K2 O4'
_chemical_formula_sum 'K2 O4'
_chemical_name_systematic 'Dipotassium hyperoxide'
_space_group_IT_number 139
_symmetry_cell_setting tetragonal
_symmetry_Int_Tables_number 139
_symmetry_space_group_name_Hall '-I 4 2'
_symmetry_space_group_name_H-M 'I 4/m m m'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 2
_cell_length_a 5.7
_cell_length_b 5.7
_cell_length_c 6.72
_cell_volume 218.3
_exptl_crystal_density_meas 2.16
_cod_database_code 1010845
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
-y,x,z
y,-x,z
y,x,z
-y,-x,z
-x,-y,-z
x,y,-z
x,-y,-z
-x,y,-z
y,-x,-z
-y,x,-z
-y,-x,-z
y,x,-z
1/2+x,1/2+y,1/2+z
1/2-x,1/2-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-y,1/2+x,1/2+z
1/2+y,1/2-x,1/2+z
1/2+y,1/2+x,1/2+z
1/2-y,1/2-x,1/2+z
1/2-x,1/2-y,1/2-z
1/2+x,1/2+y,1/2-z
1/2+x,1/2-y,1/2-z
1/2-x,1/2+y,1/2-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2-z
1/2-y,1/2-x,1/2-z
1/2+y,1/2+x,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010846.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 21:33:27 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278157 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010846.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010846
loop_
_publ_author_name
'Hendricks, S B'
_publ_section_title
;
The Crystal Structure of Ca S O~4~ C O (N H~2~)~2~
;
_journal_coden_ASTM JPCHAX
_journal_name_full 'Journal of Physical Chemistry'
_journal_page_first 1109
_journal_page_last 1122
_journal_paper_doi 10.1021/j150351a004
_journal_volume 37
_journal_year 1933
_chemical_formula_structural 'Ca S O4 (C O (N H2)2)4'
_chemical_formula_sum 'C4 H16 Ca N8 O8 S'
_chemical_name_systematic 'Calcium sulfate tetraurea'
_cell_angle_alpha 91.4
_cell_angle_beta 90.38
_cell_angle_gamma 86.89
_cell_formula_units_Z 4
_cell_length_a 14.74
_cell_length_b 14.95
_cell_length_c 6.47
_cell_volume 1423.2
_cod_database_code 1010846
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2022-09-25T21:30:00+03:00
;
Corrected the summary chemical formula by changing it from 'H16 Ca N8 O8 S'
to 'C4 H16 Ca N8 O8 S'.
;
|
1010847.cif | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010847.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010847
loop_
_publ_author_name
'Zachariasen, W H'
_publ_section_title
;
Note on the Crystal Lattice of Samarium Sulphate Octo-Hydrate
;
_journal_coden_ASTM JCPSA6
_journal_name_full 'Journal of Chemical Physics'
_journal_page_first 197
_journal_page_last 198
_journal_volume 3
_journal_year 1935
_chemical_formula_structural 'Sm S O4 (H2 O)8'
_chemical_formula_sum 'H16 O12 S Sm'
_chemical_name_systematic 'Samarium(II) sulfate octahydrate'
_space_group_IT_number 15
_symmetry_cell_setting monoclinic
_symmetry_Int_Tables_number 15
_symmetry_space_group_name_Hall '-C 2yc'
_symmetry_space_group_name_H-M 'C 1 2/c 1'
_cell_angle_alpha 90
_cell_angle_beta 118.3
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 20.30(6)
_cell_length_b 6.76(3)
_cell_length_c 13.53(5)
_cell_volume 1634.8
_cod_database_code 1010847
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010848.cif | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010848.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010848
loop_
_publ_author_name
'Ketelaar, J A A'
'Sanders, J K'
_publ_section_title
;
The Crystal Structure of Thallium Trithionate, Tl~2~ S~3~ O~6~
;
_journal_coden_ASTM JCPSA6
_journal_name_full 'Journal of Chemical Physics'
_journal_page_first 621
_journal_page_last 621
_journal_paper_doi 10.1063/1.1749917
_journal_volume 4
_journal_year 1936
_chemical_formula_structural 'Tl2 S3 O6'
_chemical_formula_sum 'O6 S3 Tl2'
_chemical_name_systematic 'Thallium trithionate'
_space_group_IT_number 15
_symmetry_cell_setting monoclinic
_symmetry_Int_Tables_number 15
_symmetry_space_group_name_Hall '-C 2yc'
_symmetry_space_group_name_H-M 'C 1 2/c 1'
_cell_angle_alpha 90
_cell_angle_beta 91
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 13.20(5)
_cell_length_b 7.45(2)
_cell_length_c 7.58(2)
_cell_volume 745.3
_exptl_crystal_density_meas 5.08
_cod_database_code 1010848
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010849.cif | #------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010849.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010849
_chemical_name_systematic 'Pentakis(lead oxide) dihydrate'
_chemical_formula_structural '(Pb O)5 (H2 O)2'
_chemical_formula_sum 'H4 O7 Pb5'
_publ_section_title
;
On Lead Oxides. II. Hydrous, Normal and Active Lead Monoxides
;
loop_
_publ_author_name
'Clark, G L'
'Tyler, W P'
_journal_name_full 'Journal of the American Chemical Society'
_journal_coden_ASTM JACSAT
_journal_volume 61
_journal_year 1939
_journal_page_first 58
_journal_page_last 65
_cell_length_a 5.93
_cell_length_b 4.65
_cell_length_c 6.36
_cell_angle_alpha 90
_cell_angle_beta 105.78
_cell_angle_gamma 90
_cell_volume 168.8
_cell_formula_units_Z 1
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010849
_journal_paper_doi 10.1021/ja01870a016
|
1010850.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010850.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010850
loop_
_publ_author_name
'Klug, H P'
_publ_section_title
;
Crystal-Chemical Studies of the Alums. II. The Purple Chrome Alums
;
_journal_coden_ASTM JACSAT
_journal_name_full 'Journal of the American Chemical Society'
_journal_page_first 2992
_journal_page_last 2993
_journal_paper_doi 10.1021/ja01868a027
_journal_volume 62
_journal_year 1940
_chemical_formula_structural 'Tl Cr (S O4)2 (H2 O)12'
_chemical_formula_sum 'Cr H24 O20 S2 Tl'
_chemical_name_systematic 'Thallium chromium sulfate dodecahydrate'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 0
_cell_length_a 12.238(1)
_cell_length_b 12.238(1)
_cell_length_c 12.238(1)
_cell_volume 1832.9
_cod_original_formula_sum 'H24 Cr O20 S2 Tl'
_cod_database_code 1010850
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010851.cif | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010851.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010851
loop_
_publ_author_name
'Sturdivant, J H'
_publ_section_title 'The Formula of Ammonium Paramolybdate'
_journal_coden_ASTM JACSAT
_journal_name_full 'Journal of the American Chemical Society'
_journal_page_first 630
_journal_page_last 631
_journal_paper_doi 10.1021/ja01283a010
_journal_volume 59
_journal_year 1937
_chemical_formula_structural '(N H4)6 (Mo7 O24) (H2 O)4'
_chemical_formula_sum 'H32 Mo7 N6 O28'
_chemical_name_systematic 'Ammonium heptamolybdate tetrahydrate'
_space_group_IT_number 14
_symmetry_cell_setting monoclinic
_symmetry_Int_Tables_number 14
_symmetry_space_group_name_Hall '-P 2ybc'
_symmetry_space_group_name_H-M 'P 1 21/c 1'
_cell_angle_alpha 90
_cell_angle_beta 116.0(1)
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 8.382
_cell_length_b 36.125(8)
_cell_length_c 10.464
_cell_volume 2847.8
_cod_database_code 1010851
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
-x,-y,-z
x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010852.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010852.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010852
_chemical_name_systematic 'Copper iron cyanide'
_chemical_formula_structural 'Cu Fe (C N)4'
_chemical_formula_sum 'Cu Fe N4'
_publ_section_title
;
The Structure of Semipermeable Membranes of Inorganic Salts.
;
loop_
_publ_author_name
'Fordham, S'
'Tyson, J T'
_journal_name_full 'Journal of the Chemical Society'
_journal_coden_ASTM JCSOA9
_journal_volume 1937
_journal_year 1937
_journal_page_first 483
_journal_page_last 487
_cell_length_a 4.98
_cell_length_b 4.98
_cell_length_c 4.98
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 123.5
_cell_formula_units_Z 1
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010852
|
1010853.cif | #------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010853.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010853
_chemical_name_systematic 'Lead iron cyanide'
_chemical_formula_structural 'Pb Fe (C N)4'
_chemical_formula_sum 'Fe N4 Pb'
_publ_section_title
;
The Structure of Semipermeable Membranes of Inorganic Salts.
;
loop_
_publ_author_name
'Fordham, S'
'Tyson, J T'
_journal_name_full 'Journal of the Chemical Society'
_journal_coden_ASTM JCSOA9
_journal_volume 1937
_journal_year 1937
_journal_page_first 483
_journal_page_last 487
_cell_length_a 8.28
_cell_length_b 8.28
_cell_length_c 8.28
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 567.7
_cell_formula_units_Z 1
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010853
|
1010854.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010854.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010854
loop_
_publ_author_name
'Wyckoff, R W G'
_publ_section_title
;
The crystal structures of the hexaammoniates of the nickel halides
;
_journal_coden_ASTM JACSAT
_journal_name_full 'Journal of the American Chemical Society'
_journal_page_first 1239
_journal_page_last 1245
_journal_paper_doi 10.1021/ja01427a007
_journal_volume 44
_journal_year 1922
_chemical_formula_structural 'Ni Cl2 (N H3)6'
_chemical_formula_sum 'Cl2 H18 N6 Ni'
_chemical_name_systematic 'Hexaamminenickel chloride'
_space_group_IT_number 202
_symmetry_cell_setting cubic
_symmetry_Int_Tables_number 202
_symmetry_space_group_name_Hall '-F 2 2 3'
_symmetry_space_group_name_H-M 'F m -3'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 10.09
_cell_length_b 10.09
_cell_length_c 10.09
_cell_volume 1027.2
_exptl_crystal_density_meas 1.53
_cod_original_formula_sum 'H18 Cl2 N6 Ni'
_cod_database_code 1010854
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
-x,-y,-z
-y,-z,-x
-z,-x,-y
x,-y,-z
y,-z,-x
z,-x,-y
-x,y,z
-y,z,x
-z,x,y
-x,y,-z
-y,z,-x
-z,x,-y
x,-y,z
y,-z,x
z,-x,y
-x,-y,z
-y,-z,x
-z,-x,y
x,y,-z
y,z,-x
z,x,-y
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
-x,1/2-y,1/2-z
1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
-y,1/2-z,1/2-x
1/2-y,-z,1/2-x
1/2-y,1/2-z,-x
-z,1/2-x,1/2-y
1/2-z,-x,1/2-y
1/2-z,1/2-x,-y
x,1/2-y,1/2-z
1/2+x,-y,1/2-z
1/2+x,1/2-y,-z
y,1/2-z,1/2-x
1/2+y,-z,1/2-x
1/2+y,1/2-z,-x
z,1/2-x,1/2-y
1/2+z,-x,1/2-y
1/2+z,1/2-x,-y
-x,1/2+y,1/2+z
1/2-x,y,1/2+z
1/2-x,1/2+y,z
-y,1/2+z,1/2+x
1/2-y,z,1/2+x
1/2-y,1/2+z,x
-z,1/2+x,1/2+y
1/2-z,x,1/2+y
1/2-z,1/2+x,y
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
-y,1/2+z,1/2-x
1/2-y,z,1/2-x
1/2-y,1/2+z,-x
-z,1/2+x,1/2-y
1/2-z,x,1/2-y
1/2-z,1/2+x,-y
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
1/2+x,1/2-y,z
y,1/2-z,1/2+x
1/2+y,-z,1/2+x
1/2+y,1/2-z,x
z,1/2-x,1/2+y
1/2+z,-x,1/2+y
1/2+z,1/2-x,y
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
-y,1/2-z,1/2+x
1/2-y,-z,1/2+x
1/2-y,1/2-z,x
-z,1/2-x,1/2+y
1/2-z,-x,1/2+y
1/2-z,1/2-x,y
x,1/2+y,1/2-z
1/2+x,y,1/2-z
1/2+x,1/2+y,-z
y,1/2+z,1/2-x
1/2+y,z,1/2-x
1/2+y,1/2+z,-x
z,1/2+x,1/2-y
1/2+z,x,1/2-y
1/2+z,1/2+x,-y
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010855.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010855.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010855
loop_
_publ_author_name
'Wyckoff, R W G'
_publ_section_title
;
The crystal structures of the hexaammoniates of the nickel halides
;
_journal_coden_ASTM JACSAT
_journal_name_full 'Journal of the American Chemical Society'
_journal_page_first 1239
_journal_page_last 1245
_journal_paper_doi 10.1021/ja01427a007
_journal_volume 44
_journal_year 1922
_chemical_formula_structural 'Ni Br2 (N H3)6'
_chemical_formula_sum 'Br2 H18 N6 Ni'
_chemical_name_systematic 'Hexaamminenickel bromide'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 10.48
_cell_length_b 10.48
_cell_length_c 10.48
_cell_volume 1151.0
_cod_original_formula_sum 'H18 Br2 N6 Ni'
_cod_database_code 1010855
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010856.cif | #------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010856.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010856
_chemical_name_systematic 'Hexaamminenickel iodide'
_chemical_formula_structural 'Ni I2 (N H3)6'
_chemical_formula_sum 'H18 I2 N6 Ni'
_publ_section_title
;
The crystal structures of the hexaammoniates of the nickel halides
;
loop_
_publ_author_name 'Wyckoff, R W G'
_journal_name_full 'Journal of the American Chemical Society'
_journal_coden_ASTM JACSAT
_journal_volume 44
_journal_year 1922
_journal_page_first 1239
_journal_page_last 1245
_cell_length_a 11.01
_cell_length_b 11.01
_cell_length_c 11.01
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1334.6
_cell_formula_units_Z 4
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010856
_journal_paper_doi 10.1021/ja01427a007
|
1010857.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010857.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010857
loop_
_publ_author_name
'Andrews, M R'
'Dushman, S'
_publ_section_title
;
Diffusion of Carbon Thru Tungsten and Tungsten Carbide
;
_journal_coden_ASTM JPCHAX
_journal_name_full 'Journal of Physical Chemistry'
_journal_page_first 462
_journal_page_last 472
_journal_volume 29
_journal_year 1925
_chemical_formula_structural 'W2 C'
_chemical_formula_sum 'C W2'
_chemical_name_systematic 'Tungsten carbide (2/1)'
_cod_original_formula_sum 'W2 C'
_cod_database_code 1010857
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010858.cif | #------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010858.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010858
_chemical_name_systematic 'Sodium catena-borate'
_chemical_formula_structural 'Na B O2'
_chemical_formula_sum 'B Na O2'
_publ_section_title
;
The System R~2~ O - B~2~ O~3~, II. Properties of Anhydrous and Hydrated
Metaborates of Sodium and Potassium
;
loop_
_publ_author_name
'Cole, S S'
'Scholes, S R'
'Amberg, C R'
_journal_name_full 'Journal of the American Ceramic Society'
_journal_coden_ASTM JACTAW
_journal_volume 18
_journal_year 1935
_journal_page_first 58
_journal_page_last 61
_cell_length_a 6.85
_cell_length_b 6.85
_cell_length_c 10.95
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 445.0
_cell_formula_units_Z 16
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_cod_database_code 1010858
_journal_paper_doi 10.1111/j.1151-2916.1935.tb19353.x
|
1010859.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010859.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010859
loop_
_publ_author_name
'Moltzau, R'
'Kolthoff, I M'
_publ_section_title
;
Mixed crystal formation of zinc sulfide postprecipitated with mercuric
sulfide. The aging of mercuric sulfide and of zinc sulfide
;
_journal_coden_ASTM JPCHAX
_journal_name_full 'Journal of Physical Chemistry'
_journal_page_first 637
_journal_page_last 643
_journal_paper_doi 10.1021/j150374a009
_journal_volume 40
_journal_year 1936
_chemical_formula_structural '(Hg S)0.61 (Zn S)0.39'
_chemical_formula_sum 'Hg0.61 S Zn0.39'
_chemical_name_systematic 'Mercury zinc sulfide (0.61/0.39/1)'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 0
_cell_length_a 5.79
_cell_length_b 5.79
_cell_length_c 5.79
_cell_volume 194.1
_cod_original_formula_sum 'Hg.61 S Zn.39'
_cod_database_code 1010859
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010860.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010860.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010860
loop_
_publ_author_name
'Silberstein, M A'
_publ_section_title 'Sur quelques complexes bromocupriques.'
_journal_coden_ASTM COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first 909
_journal_page_last 911
_journal_volume 205
_journal_year 1937
_chemical_formula_structural '(N H4)2 Cu Br4 (H2 O)2'
_chemical_formula_sum 'Br4 Cu H12 N2 O2'
_chemical_name_systematic 'Diammonium copper bromide dihydrate'
_space_group_IT_number 136
_symmetry_cell_setting tetragonal
_symmetry_Int_Tables_number 136
_symmetry_space_group_name_Hall '-P 4n 2n'
_symmetry_space_group_name_H-M 'P 42/m n m'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 0
_cell_length_a 8.14
_cell_length_b 8.14
_cell_length_c 8.14
_cell_volume 539.4
_cod_original_formula_sum 'H12 Br4 Cu N2 O2'
_cod_database_code 1010860
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2+z
-x,-y,-z
x,y,-z
1/2-x,1/2+y,1/2-z
1/2+x,1/2-y,1/2-z
y,x,z
-y,-x,z
1/2-y,1/2+x,1/2+z
1/2+y,1/2-x,1/2+z
-y,-x,-z
y,x,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010861.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010861.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010861
loop_
_publ_author_name
'Bijvoet, J M'
'MacGillavry, C H'
_publ_section_title
;
De kristalstructuur van eenige ammoniakaten van het type M (N H~3~)~2~
Cl~2.~
;
_journal_coden_ASTM CHWEAP
_journal_name_full 'Chemisch Weekblad'
_journal_page_first 346
_journal_page_last 347
_journal_volume 32
_journal_year 1935
_chemical_formula_structural 'Hg (N H3)2 Br2'
_chemical_formula_sum 'Br2 H6 Hg N2'
_chemical_name_systematic 'Diamminemercury bromide'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 0
_cell_length_a 4.2
_cell_length_b 4.2
_cell_length_c 4.2
_cell_volume 74.1
_cod_original_formula_sum 'H6 Br2 Hg N2'
_cod_database_code 1010861
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010862.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010862.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010862
loop_
_publ_author_name
'Bubeck, W'
_publ_section_title
;
Die Gitterkonstante und Schmelzpunkte der Berzeliite.
;
_journal_coden_ASTM GFSFA4
_journal_name_full
;
Geologiska Foereningens i Stockholm Foerhandlingar
;
_journal_page_first 525
_journal_page_last 530
_journal_volume 56
_journal_year 1934
_chemical_formula_structural 'Ca2 Na Mg1.27 Mn0.73 (As O4)3'
_chemical_formula_sum 'As3 Ca2 Mg1.27 Mn0.73 Na O12'
_chemical_name_systematic
;
Calcium sodium magnesium manganese arsenate (2/1/1.27/0.73/3)
;
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 0
_cell_length_a 12.35(1)
_cell_length_b 12.35(1)
_cell_length_c 12.35(1)
_cell_volume 1883.7
_cod_original_formula_sum 'As3 Ca2 Mg1.27 Mn.73 Na O12'
_cod_database_code 1010862
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010863.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010863.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010863
loop_
_publ_author_name
'Bannister, F A'
'Hey, M H'
_publ_section_title 'Bravoite from Mill Close mine, Derbyshire.'
_journal_coden_ASTM MIASA6
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_page_first 609
_journal_page_last 615
_journal_paper_doi 10.1180/minmag.1940.025.170.05
_journal_volume 25
_journal_year 1940
_chemical_compound_source 'from Mill Close Mine, Derbyshire'
_chemical_formula_structural 'Fe0.65 Ni0.35 S2'
_chemical_formula_sum 'Fe0.65 Ni0.35 S2'
_chemical_name_mineral Bravoite
_chemical_name_systematic 'Iron nickel sulfide (0.65/0.35/2)'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 0
_cell_length_a 5.49
_cell_length_b 5.49
_cell_length_c 5.49
_cell_volume 165.5
_cod_original_formula_sum 'Fe.65 Ni.35 S2'
_cod_database_code 1010863
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010864.cif | #------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010864.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010864
loop_
_publ_author_name
'Vaux, G'
'Bannister, F A'
_publ_section_title 'The identity of Zinckenite and Keeleyite.'
_journal_coden_ASTM MIASA6
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_page_first 221
_journal_page_last 227
_journal_volume 25
_journal_year 1938
_chemical_compound_source 'from the British Museum'
_chemical_formula_structural 'Pb6 Sb14 S27'
_chemical_formula_sum 'Pb6 S27 Sb14'
_chemical_name_mineral Zinckenite
_chemical_name_systematic 'Hexalead 14-antimony 27-sulfide'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 12
_cell_length_a 44.06
_cell_length_b 76.31
_cell_length_c 8.6
_cell_volume 25041.2
_cod_database_code 1010864
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_journal_paper_doi 10.1180/minmag.1938.025.163.06
|
1010865.cif | #------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010865.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010865
loop_
_publ_author_name
'Vaux, G'
'Bennett, H'
_publ_section_title
;
X-ray studies on Pyrolusite (including Polianite) and Psilomelane.
;
_journal_coden_ASTM MIASA6
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_page_first 521
_journal_page_last 526
_journal_volume 24
_journal_year 1937
_chemical_compound_source 'from Elgersburg, Thuringia'
_chemical_formula_structural 'H4 Mn2 Mn8 O20'
_chemical_formula_sum 'H4 Mn10 O20'
_chemical_name_mineral Pyrolusite
_chemical_name_systematic
;
Tetrahydrogen dimanganese octamanganese(IV) oxide
;
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 0
_cell_length_a 4.38
_cell_length_b 4.38
_cell_length_c 2.86
_cell_volume 54.9
_cod_database_code 1010865
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
_journal_paper_doi 10.1180/minmag.1937.024.157.02
|
1010866.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010866.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010866
loop_
_publ_author_name
'Skerl, A C'
'Bannister, F A'
'Groves, A W'
_publ_section_title
;
Lusakite, a cobalt-bearing silicate from Northern Rhodesia.
;
_journal_coden_ASTM MIASA6
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_page_first 598
_journal_page_last 606
_journal_paper_doi 10.1180/minmag.1934.023.146.03
_journal_volume 23
_journal_year 1934
_chemical_compound_source 'from Northern Rhodesia.'
_chemical_formula_structural
'Al17.01 Co1.93 Fe0.81 Fe1.06 H2.26 Mn0.02 Mg1.09 Ni0.20 Ti0.11 Si7.75 O47.3'
_chemical_formula_sum
'Al17.01 Co1.93 Fe1.87 H2.26 Mg1.09 Mn0.02 Ni0.2 O47.3 Si7.75 Ti0.11'
_chemical_name_mineral 'Staurolite cobaltiferous'
_chemical_name_systematic
;
Aluminium cobalt iron hydrogen manganese magnesium nickel titanium
silicate *
;
_space_group_IT_number 63
_symmetry_cell_setting orthorhombic
_symmetry_Int_Tables_number 63
_symmetry_space_group_name_Hall '-C 2c 2'
_symmetry_space_group_name_H-M 'C m c m'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
_cell_length_a 7.86
_cell_length_b 16.62
_cell_length_c 5.65
_cell_volume 738.1
_cod_original_formula_sum
'H2.26 Al17.01 Co1.93 Fe1.87 Mg1.09 Mn.02 Ni.2 O47.3 Si7.75 Ti.11'
_cod_database_code 1010866
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
x,y,1/2-z
x,-y,1/2+z
-x,-y,-z
-x,y,z
-x,-y,1/2+z
-x,y,1/2-z
1/2+x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,1/2+y,1/2-z
1/2+x,1/2-y,1/2+z
1/2-x,1/2-y,-z
1/2-x,1/2+y,z
1/2-x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010867.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010867.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010867
loop_
_publ_author_name
'Hey, M H'
'Bannister, F A'
_publ_section_title
;
Studies on the Zeolites. Part IX. Scolecite and Metascolecite.
;
_journal_coden_ASTM MIASA6
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_page_first 227
_journal_page_last 253
_journal_paper_doi 10.1180/minmag.1936.024.152.02
_journal_volume 24
_journal_year 1936
_chemical_formula_structural 'Ca Al2 Si3 O10 (H2 O)3'
_chemical_formula_sum 'Al2 Ca H6 O13 Si3'
_chemical_name_mineral Scolecite
_chemical_name_systematic 'Calcium alumosilicate hydrate *'
_cell_angle_alpha 90
_cell_angle_beta 89.35
_cell_angle_gamma 90
_cell_formula_units_Z 8
_cell_length_a 18.48
_cell_length_b 18.95
_cell_length_c 6.54
_cell_volume 2290.1
_cod_original_formula_sum 'H6 Al2 Ca O13 Si3'
_cod_database_code 1010867
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010868.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010868.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010868
loop_
_publ_author_name
'Hey, M H'
'Bannister, F A'
_publ_section_title 'Studies on the Zeolites. Part V. Mesolite.'
_journal_coden_ASTM MIASA6
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_page_first 421
_journal_page_last 447
_journal_paper_doi 10.1180/minmag.1933.023.143.01
_journal_volume 23
_journal_year 1933
_chemical_formula_structural 'Ca2 Na2 Al6 Si9 O30 (H2 O)8'
_chemical_formula_sum 'Al6 Ca2 H16 Na2 O38 Si9'
_chemical_name_mineral Mesolite
_chemical_name_systematic 'Calcium sodium alumosilicate hydrate * e'
_space_group_IT_number 5
_symmetry_cell_setting monoclinic
_symmetry_Int_Tables_number 5
_symmetry_space_group_name_Hall 'C 2y'
_symmetry_space_group_name_H-M 'C 1 2 1'
_cell_angle_alpha 90
_cell_angle_beta 90.0(3)
_cell_angle_gamma 90
_cell_formula_units_Z 8
_cell_length_a 56.7(1)
_cell_length_b 6.54(2)
_cell_length_c 18.44(4)
_cell_volume 6837.9
_cod_original_formula_sum 'H16 Al6 Ca2 Na2 O38 Si9'
_cod_database_code 1010868
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
1/2+x,1/2+y,z
1/2-x,1/2+y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
|
1010869.cif | #------------------------------------------------------------------------------
#$Date: 2022-09-14 18:07:06 +0300 (Wed, 14 Sep 2022) $
#$Revision: 277832 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010869.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010869
loop_
_publ_author_name
'Hoard, J L'
'Goldstein, L'
_publ_section_title
;
The Crystal Structure of Cesium Enneachlordithalliate, Cs~3~ Tl~2~ Cl~9~
;
_journal_coden_ASTM JCPSA6
_journal_name_full 'Journal of Chemical Physics'
_journal_page_first 199
_journal_page_last 202
_journal_paper_doi 10.1063/1.1749633
_journal_volume 3
_journal_year 1935
_chemical_formula_structural 'Cs3 Tl2 Cl9'
_chemical_formula_sum 'Cl9 Cs3 Tl2'
_chemical_name_systematic 'Caesium nonachlorodithallate'
_symmetry_cell_setting trigonal
_symmetry_Int_Tables_number 167
_symmetry_space_group_name_H-M 'R -3 c RS'
_cell_angle_alpha 83.8
_cell_angle_beta 83.8
_cell_angle_gamma 83.8
_cell_formula_units_Z 2
_cell_length_a 9.58
_cell_length_b 9.58
_cell_length_c 9.58
_cell_volume 864.8
_cod_database_code 1010869
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-x,-z,-y
-z,-y,-x
1/2-x,1/2-y,1/2-z
1/2-y,1/2-z,1/2-x
1/2-z,1/2-x,1/2-y
1/2+y,1/2+x,1/2+z
1/2+x,1/2+z,1/2+y
1/2+z,1/2+y,1/2+x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Tl1 Tl3+ 4 c 0.098 0.098 0.098 1. 0 d
Cs1 Cs1+ 6 e 0.667 0.333 0. 1. 0 d
Cl1 Cl1- 6 e 0.153 -0.153 0. 1. 0 d
Cl2 Cl1- 12 f 0.336 0.176 -0.005 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Tl3+ 3.000
Cs1+ 1.000
Cl1- -1.000
|
1010870.cif | #------------------------------------------------------------------------------
#$Date: 2017-07-11 13:35:29 +0300 (Tue, 11 Jul 2017) $
#$Revision: 198631 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010870.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010870
loop_
_publ_author_name
'Sieg, L'
_publ_section_title
;
Die Kristallstruktur des Ammoniumhexabromoselenats
;
_journal_coden_ASTM ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first 93
_journal_page_last 96
_journal_paper_doi 10.1002/zaac.19322070109
_journal_volume 207
_journal_year 1932
_chemical_formula_structural '(N H4)2 Se Br6'
_chemical_formula_sum 'Br6 H8 N2 Se'
_chemical_name_systematic 'Ammonium hexabromoselenate(IV)'
_space_group_IT_number 225
_symmetry_cell_setting cubic
_symmetry_Int_Tables_number 225
_symmetry_space_group_name_Hall '-F 4 2 3'
_symmetry_space_group_name_H-M 'F m -3 m'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 10.46
_cell_length_b 10.46
_cell_length_c 10.46
_cell_volume 1144.4
_exptl_crystal_density_meas 3.47
_cod_depositor_comments
;
Changing the number of attached hydrogens for atom 'N1' from 3 to 4.
Removing the dummy hydrogen atom 'H1+'.
Antanas Vaitkus,
2017-07-11
;
_cod_original_formula_sum 'H8 Br6 N2 Se'
_cod_database_code 1010870
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
x,z,y
y,x,z
z,y,x
x,-y,-z
y,-z,-x
z,-x,-y
x,-z,-y
y,-x,-z
z,-y,-x
-x,y,-z
-y,z,-x
-z,x,-y
-x,z,-y
-y,x,-z
-z,y,-x
-x,-y,z
-y,-z,x
-z,-x,y
-x,-z,y
-y,-x,z
-z,-y,x
-x,-y,-z
-y,-z,-x
-z,-x,-y
-x,-z,-y
-y,-x,-z
-z,-y,-x
-x,y,z
-y,z,x
-z,x,y
-x,z,y
-y,x,z
-z,y,x
x,-y,z
y,-z,x
z,-x,y
x,-z,y
y,-x,z
z,-y,x
x,y,-z
y,z,-x
z,x,-y
x,z,-y
y,x,-z
z,y,-x
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
x,1/2+z,1/2+y
1/2+x,z,1/2+y
1/2+x,1/2+z,y
y,1/2+x,1/2+z
1/2+y,x,1/2+z
1/2+y,1/2+x,z
z,1/2+y,1/2+x
1/2+z,y,1/2+x
1/2+z,1/2+y,x
x,1/2-y,1/2-z
1/2+x,-y,1/2-z
1/2+x,1/2-y,-z
y,1/2-z,1/2-x
1/2+y,-z,1/2-x
1/2+y,1/2-z,-x
z,1/2-x,1/2-y
1/2+z,-x,1/2-y
1/2+z,1/2-x,-y
x,1/2-z,1/2-y
1/2+x,-z,1/2-y
1/2+x,1/2-z,-y
y,1/2-x,1/2-z
1/2+y,-x,1/2-z
1/2+y,1/2-x,-z
z,1/2-y,1/2-x
1/2+z,-y,1/2-x
1/2+z,1/2-y,-x
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
-y,1/2+z,1/2-x
1/2-y,z,1/2-x
1/2-y,1/2+z,-x
-z,1/2+x,1/2-y
1/2-z,x,1/2-y
1/2-z,1/2+x,-y
-x,1/2+z,1/2-y
1/2-x,z,1/2-y
1/2-x,1/2+z,-y
-y,1/2+x,1/2-z
1/2-y,x,1/2-z
1/2-y,1/2+x,-z
-z,1/2+y,1/2-x
1/2-z,y,1/2-x
1/2-z,1/2+y,-x
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
-y,1/2-z,1/2+x
1/2-y,-z,1/2+x
1/2-y,1/2-z,x
-z,1/2-x,1/2+y
1/2-z,-x,1/2+y
1/2-z,1/2-x,y
-x,1/2-z,1/2+y
1/2-x,-z,1/2+y
1/2-x,1/2-z,y
-y,1/2-x,1/2+z
1/2-y,-x,1/2+z
1/2-y,1/2-x,z
-z,1/2-y,1/2+x
1/2-z,-y,1/2+x
1/2-z,1/2-y,x
-x,1/2-y,1/2-z
1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
-y,1/2-z,1/2-x
1/2-y,-z,1/2-x
1/2-y,1/2-z,-x
-z,1/2-x,1/2-y
1/2-z,-x,1/2-y
1/2-z,1/2-x,-y
-x,1/2-z,1/2-y
1/2-x,-z,1/2-y
1/2-x,1/2-z,-y
-y,1/2-x,1/2-z
1/2-y,-x,1/2-z
1/2-y,1/2-x,-z
-z,1/2-y,1/2-x
1/2-z,-y,1/2-x
1/2-z,1/2-y,-x
-x,1/2+y,1/2+z
1/2-x,y,1/2+z
1/2-x,1/2+y,z
-y,1/2+z,1/2+x
1/2-y,z,1/2+x
1/2-y,1/2+z,x
-z,1/2+x,1/2+y
1/2-z,x,1/2+y
1/2-z,1/2+x,y
-x,1/2+z,1/2+y
1/2-x,z,1/2+y
1/2-x,1/2+z,y
-y,1/2+x,1/2+z
1/2-y,x,1/2+z
1/2-y,1/2+x,z
-z,1/2+y,1/2+x
1/2-z,y,1/2+x
1/2-z,1/2+y,x
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
1/2+x,1/2-y,z
y,1/2-z,1/2+x
1/2+y,-z,1/2+x
1/2+y,1/2-z,x
z,1/2-x,1/2+y
1/2+z,-x,1/2+y
1/2+z,1/2-x,y
x,1/2-z,1/2+y
1/2+x,-z,1/2+y
1/2+x,1/2-z,y
y,1/2-x,1/2+z
1/2+y,-x,1/2+z
1/2+y,1/2-x,z
z,1/2-y,1/2+x
1/2+z,-y,1/2+x
1/2+z,1/2-y,x
x,1/2+y,1/2-z
1/2+x,y,1/2-z
1/2+x,1/2+y,-z
y,1/2+z,1/2-x
1/2+y,z,1/2-x
1/2+y,1/2+z,-x
z,1/2+x,1/2-y
1/2+z,x,1/2-y
1/2+z,1/2+x,-y
x,1/2+z,1/2-y
1/2+x,z,1/2-y
1/2+x,1/2+z,-y
y,1/2+x,1/2-z
1/2+y,x,1/2-z
1/2+y,1/2+x,-z
z,1/2+y,1/2-x
1/2+z,y,1/2-x
1/2+z,1/2+y,-x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Se1 Se4+ 4 a 0. 0. 0. 1. 0 d
N1 N3- 8 c 0.25 0.25 0.25 1. 4 d
Br1 Br1- 24 e 0.24(1) 0. 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Se4+ 4.000
N3- -3.000
Br1- -1.000
H1+ 1.000
|
1010871.cif | #------------------------------------------------------------------------------
#$Date: 2018-07-07 04:59:37 +0300 (Sat, 07 Jul 2018) $
#$Revision: 208902 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010871.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010871
loop_
_publ_author_name
'Goldschmidt, V M'
_publ_section_title 'Ueber das Woehlersche Cyanstickstofftitan'
_journal_coden_ASTM NACGA3
_journal_name_full
;
Nachrichten der Akademie der Wissenschaften, Goettingen, Mathematisch-
Physikalisch-Chemische Abteilung
;
_journal_page_first 390
_journal_page_last 393
_journal_volume 1927
_journal_year 1927
_chemical_formula_structural 'Ti C.2 N.8'
_chemical_formula_sum 'C0.2 N0.8 Ti'
_chemical_name_systematic 'Titanium carbide nitride (1/.2/.8)'
_space_group_IT_number 225
_symmetry_cell_setting cubic
_symmetry_Int_Tables_number 225
_symmetry_space_group_name_Hall '-F 4 2 3'
_symmetry_space_group_name_H-M 'F m -3 m'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 4.243
_cell_length_b 4.243
_cell_length_c 4.243
_cell_volume 76.4
_exptl_crystal_density_meas 5.32
_cod_depositor_comments
;
Correcting the summary chemical formula by changing it from 'N0.8 Ti'
to 'C0.2 N0.8 Ti'.
Antanas Vaitkus,
2018-07-07
;
_cod_original_formula_sum 'N.8 Ti'
_cod_database_code 1010871
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
x,z,y
y,x,z
z,y,x
x,-y,-z
y,-z,-x
z,-x,-y
x,-z,-y
y,-x,-z
z,-y,-x
-x,y,-z
-y,z,-x
-z,x,-y
-x,z,-y
-y,x,-z
-z,y,-x
-x,-y,z
-y,-z,x
-z,-x,y
-x,-z,y
-y,-x,z
-z,-y,x
-x,-y,-z
-y,-z,-x
-z,-x,-y
-x,-z,-y
-y,-x,-z
-z,-y,-x
-x,y,z
-y,z,x
-z,x,y
-x,z,y
-y,x,z
-z,y,x
x,-y,z
y,-z,x
z,-x,y
x,-z,y
y,-x,z
z,-y,x
x,y,-z
y,z,-x
z,x,-y
x,z,-y
y,x,-z
z,y,-x
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
x,1/2+z,1/2+y
1/2+x,z,1/2+y
1/2+x,1/2+z,y
y,1/2+x,1/2+z
1/2+y,x,1/2+z
1/2+y,1/2+x,z
z,1/2+y,1/2+x
1/2+z,y,1/2+x
1/2+z,1/2+y,x
x,1/2-y,1/2-z
1/2+x,-y,1/2-z
1/2+x,1/2-y,-z
y,1/2-z,1/2-x
1/2+y,-z,1/2-x
1/2+y,1/2-z,-x
z,1/2-x,1/2-y
1/2+z,-x,1/2-y
1/2+z,1/2-x,-y
x,1/2-z,1/2-y
1/2+x,-z,1/2-y
1/2+x,1/2-z,-y
y,1/2-x,1/2-z
1/2+y,-x,1/2-z
1/2+y,1/2-x,-z
z,1/2-y,1/2-x
1/2+z,-y,1/2-x
1/2+z,1/2-y,-x
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
-y,1/2+z,1/2-x
1/2-y,z,1/2-x
1/2-y,1/2+z,-x
-z,1/2+x,1/2-y
1/2-z,x,1/2-y
1/2-z,1/2+x,-y
-x,1/2+z,1/2-y
1/2-x,z,1/2-y
1/2-x,1/2+z,-y
-y,1/2+x,1/2-z
1/2-y,x,1/2-z
1/2-y,1/2+x,-z
-z,1/2+y,1/2-x
1/2-z,y,1/2-x
1/2-z,1/2+y,-x
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
-y,1/2-z,1/2+x
1/2-y,-z,1/2+x
1/2-y,1/2-z,x
-z,1/2-x,1/2+y
1/2-z,-x,1/2+y
1/2-z,1/2-x,y
-x,1/2-z,1/2+y
1/2-x,-z,1/2+y
1/2-x,1/2-z,y
-y,1/2-x,1/2+z
1/2-y,-x,1/2+z
1/2-y,1/2-x,z
-z,1/2-y,1/2+x
1/2-z,-y,1/2+x
1/2-z,1/2-y,x
-x,1/2-y,1/2-z
1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
-y,1/2-z,1/2-x
1/2-y,-z,1/2-x
1/2-y,1/2-z,-x
-z,1/2-x,1/2-y
1/2-z,-x,1/2-y
1/2-z,1/2-x,-y
-x,1/2-z,1/2-y
1/2-x,-z,1/2-y
1/2-x,1/2-z,-y
-y,1/2-x,1/2-z
1/2-y,-x,1/2-z
1/2-y,1/2-x,-z
-z,1/2-y,1/2-x
1/2-z,-y,1/2-x
1/2-z,1/2-y,-x
-x,1/2+y,1/2+z
1/2-x,y,1/2+z
1/2-x,1/2+y,z
-y,1/2+z,1/2+x
1/2-y,z,1/2+x
1/2-y,1/2+z,x
-z,1/2+x,1/2+y
1/2-z,x,1/2+y
1/2-z,1/2+x,y
-x,1/2+z,1/2+y
1/2-x,z,1/2+y
1/2-x,1/2+z,y
-y,1/2+x,1/2+z
1/2-y,x,1/2+z
1/2-y,1/2+x,z
-z,1/2+y,1/2+x
1/2-z,y,1/2+x
1/2-z,1/2+y,x
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
1/2+x,1/2-y,z
y,1/2-z,1/2+x
1/2+y,-z,1/2+x
1/2+y,1/2-z,x
z,1/2-x,1/2+y
1/2+z,-x,1/2+y
1/2+z,1/2-x,y
x,1/2-z,1/2+y
1/2+x,-z,1/2+y
1/2+x,1/2-z,y
y,1/2-x,1/2+z
1/2+y,-x,1/2+z
1/2+y,1/2-x,z
z,1/2-y,1/2+x
1/2+z,-y,1/2+x
1/2+z,1/2-y,x
x,1/2+y,1/2-z
1/2+x,y,1/2-z
1/2+x,1/2+y,-z
y,1/2+z,1/2-x
1/2+y,z,1/2-x
1/2+y,1/2+z,-x
z,1/2+x,1/2-y
1/2+z,x,1/2-y
1/2+z,1/2+x,-y
x,1/2+z,1/2-y
1/2+x,z,1/2-y
1/2+x,1/2+z,-y
y,1/2+x,1/2-z
1/2+y,x,1/2-z
1/2+y,1/2+x,-z
z,1/2+y,1/2-x
1/2+z,y,1/2-x
1/2+z,1/2+y,-x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ti1 Ti0 4 a 0. 0. 0. 1. 0 d
C1 C0 4 b 0.5 0.5 0.5 0.2 0 d
N1 N0 4 b 0.5 0.5 0.5 0.8 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ti0 0.000
C0 0.000
N0 0.000
|
1010872.cif | #------------------------------------------------------------------------------
#$Date: 2018-07-07 04:59:37 +0300 (Sat, 07 Jul 2018) $
#$Revision: 208902 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010872.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010872
loop_
_publ_author_name
'Eitel, W'
'Skaliks, W'
_publ_section_title
;
Ueber einige Doppelcarbonate der Alkalien und Erdalkalien
;
_journal_coden_ASTM ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first 263
_journal_page_last 286
_journal_paper_doi 10.1002/zaac.19291830119
_journal_volume 183
_journal_year 1929
_chemical_formula_structural 'Na Li (C O3)'
_chemical_formula_sum 'C Li Na O3'
_chemical_name_systematic 'Sodium lithium carbonate'
_space_group_IT_number 187
_symmetry_cell_setting hexagonal
_symmetry_Int_Tables_number 187
_symmetry_space_group_name_Hall 'P -6 2'
_symmetry_space_group_name_H-M 'P -6 m 2'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 3
_cell_length_a 8.22
_cell_length_b 8.22
_cell_length_c 3.27
_cell_volume 191.3
_cod_depositor_comments
;
Correcting the summary chemical formula by changing it from 'Li Na O3'
to 'C Li Na O3'.
Antanas Vaitkus,
2018-07-07
;
_cod_database_code 1010872
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
x,y,-z
-y,x-y,-z
y-x,-x,-z
-y,-x,z
y-x,y,z
x,x-y,z
-y,-x,-z
y-x,y,-z
x,x-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
C1 C4+ 1 a 0. 0. 0. 1. 0 d
C2 C4+ 1 d 0.3333 0.6667 0.5 1. 0 d
C3 C4+ 1 f 0.6667 0.3333 0.5 1. 0 d
Na1 Na1+ 1 b 0. 0. 0.5 1. 0 d
Na2 Na1+ 1 c 0.3333 0.6667 0. 1. 0 d
Na3 Na1+ 1 e 0.6667 0.3333 0. 1. 0 d
Li1 Li1+ 3 k 0.5 0. 0.5 1. 0 d
O1 O2- 3 j -0.125 0.125 0. 1. 0 d
O2 O2- 3 j 0.5417 -0.5417 0. 1. 0 d
O3 O2- 3 j 0.2083 -0.2083 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
C4+ 4.000
Na1+ 1.000
Li1+ 1.000
O2- -2.000
|
1010873.cif | #------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010873.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010873
loop_
_publ_author_name
'Keggin, J F'
_publ_section_title
;
The Structure and Formula of 12-Phosphotungstic Acid
;
_journal_coden_ASTM PRLAAZ
_journal_name_full
;
Proceedings of the Royal Society of London, Series A: Mathematical and
Physical Sciences (76,1906-)
;
_journal_page_first 75
_journal_page_last 100
_journal_paper_doi 10.1098/rspa.1934.0035
_journal_volume 144
_journal_year 1934
_chemical_formula_structural 'H3 P W12 O40'
_chemical_formula_sum 'H3 O40 P W12'
_chemical_name_systematic 'Trihydrogen dodecatungstophosphate'
_space_group_IT_number 224
_symmetry_cell_setting cubic
_symmetry_space_group_name_Hall 'P 4n 2 3 -1n'
_symmetry_space_group_name_H-M 'P n -3 m :1'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 2
_cell_length_a 12.141(5)
_cell_length_b 12.141(5)
_cell_length_c 12.141(5)
_cell_volume 1789.6
_cod_original_sg_symbol_H-M 'P n -3 m S'
_cod_database_code 1010873
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,z,y
y,z,x
z,y,x
z,x,y
y,x,z
x,-y,-z
x,-z,-y
y,-z,-x
z,-y,-x
z,-x,-y
y,-x,-z
-x,y,-z
-x,z,-y
-y,z,-x
-z,y,-x
-z,x,-y
-y,x,-z
-x,-y,z
-x,-z,y
-y,-z,x
-z,-y,x
-z,-x,y
-y,-x,z
1/2-x,1/2-y,1/2-z
1/2-x,1/2-z,1/2-y
1/2-y,1/2-z,1/2-x
1/2-z,1/2-y,1/2-x
1/2-z,1/2-x,1/2-y
1/2-y,1/2-x,1/2-z
1/2-x,1/2+y,1/2+z
1/2-x,1/2+z,1/2+y
1/2-y,1/2+z,1/2+x
1/2-z,1/2+y,1/2+x
1/2-z,1/2+x,1/2+y
1/2-y,1/2+x,1/2+z
1/2+x,1/2-y,1/2+z
1/2+x,1/2-z,1/2+y
1/2+y,1/2-z,1/2+x
1/2+z,1/2-y,1/2+x
1/2+z,1/2-x,1/2+y
1/2+y,1/2-x,1/2+z
1/2+x,1/2+y,1/2-z
1/2+x,1/2+z,1/2-y
1/2+y,1/2+z,1/2-x
1/2+z,1/2+y,1/2-x
1/2+z,1/2+x,1/2-y
1/2+y,1/2+x,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
P1 P5+ 2 a 0. 0. 0. 1. 0 d
O1 O2- 8 e 0.99 0.99 0.99 1. 0 d
O2 O2- 24 k 0.08 0.08 0.766 1. 0 d
O3 O2- 24 k 0.123 0.123 0.292 1. 0 d
O4 O2- 24 k 0.312 0.312 0.992 1. 0 d
W1 W6+ 24 k 0.205 0.205 0.006 1. 0 d
H1 H1+ 2 ? -1. -1. -1. 3. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
P5+ 5.000
O2- -2.000
W6+ 6.000
H1+ 1.000
|
1010874.cif | #------------------------------------------------------------------------------
#$Date: 2016-01-25 02:59:35 +0200 (Mon, 25 Jan 2016) $
#$Revision: 174983 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010874.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010874
loop_
_publ_author_name
'Zintl, E.'
'Harder, A.'
'Dauth, B.'
_publ_section_title
;
Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums,
Natriums und Kaliums
;
_journal_coden_ASTM ZEELAI
_journal_name_full
;
Zeitschrift f\"ur Elektrochemie und angewandte physikalische Chemie
;
_journal_page_first 588
_journal_page_last 593
_journal_volume 40
_journal_year 1934
_chemical_formula_structural 'Li2 S'
_chemical_formula_sum 'Li2 S'
_chemical_name_systematic 'Dilithium sulfide'
_space_group_IT_number 225
_symmetry_cell_setting cubic
_symmetry_Int_Tables_number 225
_symmetry_space_group_name_Hall '-F 4 2 3'
_symmetry_space_group_name_H-M 'F m -3 m'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 5.708
_cell_length_b 5.708
_cell_length_c 5.708
_cell_volume 186.0
_cod_database_code 1010874
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
x,z,y
y,x,z
z,y,x
x,-y,-z
y,-z,-x
z,-x,-y
x,-z,-y
y,-x,-z
z,-y,-x
-x,y,-z
-y,z,-x
-z,x,-y
-x,z,-y
-y,x,-z
-z,y,-x
-x,-y,z
-y,-z,x
-z,-x,y
-x,-z,y
-y,-x,z
-z,-y,x
-x,-y,-z
-y,-z,-x
-z,-x,-y
-x,-z,-y
-y,-x,-z
-z,-y,-x
-x,y,z
-y,z,x
-z,x,y
-x,z,y
-y,x,z
-z,y,x
x,-y,z
y,-z,x
z,-x,y
x,-z,y
y,-x,z
z,-y,x
x,y,-z
y,z,-x
z,x,-y
x,z,-y
y,x,-z
z,y,-x
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
x,1/2+z,1/2+y
1/2+x,z,1/2+y
1/2+x,1/2+z,y
y,1/2+x,1/2+z
1/2+y,x,1/2+z
1/2+y,1/2+x,z
z,1/2+y,1/2+x
1/2+z,y,1/2+x
1/2+z,1/2+y,x
x,1/2-y,1/2-z
1/2+x,-y,1/2-z
1/2+x,1/2-y,-z
y,1/2-z,1/2-x
1/2+y,-z,1/2-x
1/2+y,1/2-z,-x
z,1/2-x,1/2-y
1/2+z,-x,1/2-y
1/2+z,1/2-x,-y
x,1/2-z,1/2-y
1/2+x,-z,1/2-y
1/2+x,1/2-z,-y
y,1/2-x,1/2-z
1/2+y,-x,1/2-z
1/2+y,1/2-x,-z
z,1/2-y,1/2-x
1/2+z,-y,1/2-x
1/2+z,1/2-y,-x
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
-y,1/2+z,1/2-x
1/2-y,z,1/2-x
1/2-y,1/2+z,-x
-z,1/2+x,1/2-y
1/2-z,x,1/2-y
1/2-z,1/2+x,-y
-x,1/2+z,1/2-y
1/2-x,z,1/2-y
1/2-x,1/2+z,-y
-y,1/2+x,1/2-z
1/2-y,x,1/2-z
1/2-y,1/2+x,-z
-z,1/2+y,1/2-x
1/2-z,y,1/2-x
1/2-z,1/2+y,-x
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
-y,1/2-z,1/2+x
1/2-y,-z,1/2+x
1/2-y,1/2-z,x
-z,1/2-x,1/2+y
1/2-z,-x,1/2+y
1/2-z,1/2-x,y
-x,1/2-z,1/2+y
1/2-x,-z,1/2+y
1/2-x,1/2-z,y
-y,1/2-x,1/2+z
1/2-y,-x,1/2+z
1/2-y,1/2-x,z
-z,1/2-y,1/2+x
1/2-z,-y,1/2+x
1/2-z,1/2-y,x
-x,1/2-y,1/2-z
1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
-y,1/2-z,1/2-x
1/2-y,-z,1/2-x
1/2-y,1/2-z,-x
-z,1/2-x,1/2-y
1/2-z,-x,1/2-y
1/2-z,1/2-x,-y
-x,1/2-z,1/2-y
1/2-x,-z,1/2-y
1/2-x,1/2-z,-y
-y,1/2-x,1/2-z
1/2-y,-x,1/2-z
1/2-y,1/2-x,-z
-z,1/2-y,1/2-x
1/2-z,-y,1/2-x
1/2-z,1/2-y,-x
-x,1/2+y,1/2+z
1/2-x,y,1/2+z
1/2-x,1/2+y,z
-y,1/2+z,1/2+x
1/2-y,z,1/2+x
1/2-y,1/2+z,x
-z,1/2+x,1/2+y
1/2-z,x,1/2+y
1/2-z,1/2+x,y
-x,1/2+z,1/2+y
1/2-x,z,1/2+y
1/2-x,1/2+z,y
-y,1/2+x,1/2+z
1/2-y,x,1/2+z
1/2-y,1/2+x,z
-z,1/2+y,1/2+x
1/2-z,y,1/2+x
1/2-z,1/2+y,x
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
1/2+x,1/2-y,z
y,1/2-z,1/2+x
1/2+y,-z,1/2+x
1/2+y,1/2-z,x
z,1/2-x,1/2+y
1/2+z,-x,1/2+y
1/2+z,1/2-x,y
x,1/2-z,1/2+y
1/2+x,-z,1/2+y
1/2+x,1/2-z,y
y,1/2-x,1/2+z
1/2+y,-x,1/2+z
1/2+y,1/2-x,z
z,1/2-y,1/2+x
1/2+z,-y,1/2+x
1/2+z,1/2-y,x
x,1/2+y,1/2-z
1/2+x,y,1/2-z
1/2+x,1/2+y,-z
y,1/2+z,1/2-x
1/2+y,z,1/2-x
1/2+y,1/2+z,-x
z,1/2+x,1/2-y
1/2+z,x,1/2-y
1/2+z,1/2+x,-y
x,1/2+z,1/2-y
1/2+x,z,1/2-y
1/2+x,1/2+z,-y
y,1/2+x,1/2-z
1/2+y,x,1/2-z
1/2+y,1/2+x,-z
z,1/2+y,1/2-x
1/2+z,y,1/2-x
1/2+z,1/2+y,-x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
S1 S2- 4 a 0. 0. 0. 1. 0 d
Li1 Li1+ 8 c 0.25 0.25 0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
S2- -2.000
Li1+ 1.000
|
1010875.cif | #------------------------------------------------------------------------------
#$Date: 2016-01-25 02:59:35 +0200 (Mon, 25 Jan 2016) $
#$Revision: 174983 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010875.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010875
loop_
_publ_author_name
'Zintl, E.'
'Harder, A.'
'Dauth, B.'
_publ_section_title
;
Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums,
Natriums und Kaliums
;
_journal_coden_ASTM ZEELAI
_journal_name_full
;
Zeitschrift f\"ur Elektrochemie und angewandte physikalische Chemie
;
_journal_page_first 588
_journal_page_last 593
_journal_volume 40
_journal_year 1934
_chemical_formula_structural 'Li2 Te'
_chemical_formula_sum 'Li2 Te'
_chemical_name_systematic 'Dilithium telluride'
_space_group_IT_number 225
_symmetry_cell_setting cubic
_symmetry_Int_Tables_number 225
_symmetry_space_group_name_Hall '-F 4 2 3'
_symmetry_space_group_name_H-M 'F m -3 m'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 6.504
_cell_length_b 6.504
_cell_length_c 6.504
_cell_volume 275.1
_cod_database_code 1010875
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
x,z,y
y,x,z
z,y,x
x,-y,-z
y,-z,-x
z,-x,-y
x,-z,-y
y,-x,-z
z,-y,-x
-x,y,-z
-y,z,-x
-z,x,-y
-x,z,-y
-y,x,-z
-z,y,-x
-x,-y,z
-y,-z,x
-z,-x,y
-x,-z,y
-y,-x,z
-z,-y,x
-x,-y,-z
-y,-z,-x
-z,-x,-y
-x,-z,-y
-y,-x,-z
-z,-y,-x
-x,y,z
-y,z,x
-z,x,y
-x,z,y
-y,x,z
-z,y,x
x,-y,z
y,-z,x
z,-x,y
x,-z,y
y,-x,z
z,-y,x
x,y,-z
y,z,-x
z,x,-y
x,z,-y
y,x,-z
z,y,-x
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
x,1/2+z,1/2+y
1/2+x,z,1/2+y
1/2+x,1/2+z,y
y,1/2+x,1/2+z
1/2+y,x,1/2+z
1/2+y,1/2+x,z
z,1/2+y,1/2+x
1/2+z,y,1/2+x
1/2+z,1/2+y,x
x,1/2-y,1/2-z
1/2+x,-y,1/2-z
1/2+x,1/2-y,-z
y,1/2-z,1/2-x
1/2+y,-z,1/2-x
1/2+y,1/2-z,-x
z,1/2-x,1/2-y
1/2+z,-x,1/2-y
1/2+z,1/2-x,-y
x,1/2-z,1/2-y
1/2+x,-z,1/2-y
1/2+x,1/2-z,-y
y,1/2-x,1/2-z
1/2+y,-x,1/2-z
1/2+y,1/2-x,-z
z,1/2-y,1/2-x
1/2+z,-y,1/2-x
1/2+z,1/2-y,-x
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
-y,1/2+z,1/2-x
1/2-y,z,1/2-x
1/2-y,1/2+z,-x
-z,1/2+x,1/2-y
1/2-z,x,1/2-y
1/2-z,1/2+x,-y
-x,1/2+z,1/2-y
1/2-x,z,1/2-y
1/2-x,1/2+z,-y
-y,1/2+x,1/2-z
1/2-y,x,1/2-z
1/2-y,1/2+x,-z
-z,1/2+y,1/2-x
1/2-z,y,1/2-x
1/2-z,1/2+y,-x
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
-y,1/2-z,1/2+x
1/2-y,-z,1/2+x
1/2-y,1/2-z,x
-z,1/2-x,1/2+y
1/2-z,-x,1/2+y
1/2-z,1/2-x,y
-x,1/2-z,1/2+y
1/2-x,-z,1/2+y
1/2-x,1/2-z,y
-y,1/2-x,1/2+z
1/2-y,-x,1/2+z
1/2-y,1/2-x,z
-z,1/2-y,1/2+x
1/2-z,-y,1/2+x
1/2-z,1/2-y,x
-x,1/2-y,1/2-z
1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
-y,1/2-z,1/2-x
1/2-y,-z,1/2-x
1/2-y,1/2-z,-x
-z,1/2-x,1/2-y
1/2-z,-x,1/2-y
1/2-z,1/2-x,-y
-x,1/2-z,1/2-y
1/2-x,-z,1/2-y
1/2-x,1/2-z,-y
-y,1/2-x,1/2-z
1/2-y,-x,1/2-z
1/2-y,1/2-x,-z
-z,1/2-y,1/2-x
1/2-z,-y,1/2-x
1/2-z,1/2-y,-x
-x,1/2+y,1/2+z
1/2-x,y,1/2+z
1/2-x,1/2+y,z
-y,1/2+z,1/2+x
1/2-y,z,1/2+x
1/2-y,1/2+z,x
-z,1/2+x,1/2+y
1/2-z,x,1/2+y
1/2-z,1/2+x,y
-x,1/2+z,1/2+y
1/2-x,z,1/2+y
1/2-x,1/2+z,y
-y,1/2+x,1/2+z
1/2-y,x,1/2+z
1/2-y,1/2+x,z
-z,1/2+y,1/2+x
1/2-z,y,1/2+x
1/2-z,1/2+y,x
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
1/2+x,1/2-y,z
y,1/2-z,1/2+x
1/2+y,-z,1/2+x
1/2+y,1/2-z,x
z,1/2-x,1/2+y
1/2+z,-x,1/2+y
1/2+z,1/2-x,y
x,1/2-z,1/2+y
1/2+x,-z,1/2+y
1/2+x,1/2-z,y
y,1/2-x,1/2+z
1/2+y,-x,1/2+z
1/2+y,1/2-x,z
z,1/2-y,1/2+x
1/2+z,-y,1/2+x
1/2+z,1/2-y,x
x,1/2+y,1/2-z
1/2+x,y,1/2-z
1/2+x,1/2+y,-z
y,1/2+z,1/2-x
1/2+y,z,1/2-x
1/2+y,1/2+z,-x
z,1/2+x,1/2-y
1/2+z,x,1/2-y
1/2+z,1/2+x,-y
x,1/2+z,1/2-y
1/2+x,z,1/2-y
1/2+x,1/2+z,-y
y,1/2+x,1/2-z
1/2+y,x,1/2-z
1/2+y,1/2+x,-z
z,1/2+y,1/2-x
1/2+z,y,1/2-x
1/2+z,1/2+y,-x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Te1 Te2- 4 a 0. 0. 0. 1. 0 d
Li1 Li1+ 8 c 0.25 0.25 0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Te2- -2.000
Li1+ 1.000
|