file
int64
a
float64
siga
float64
b
float64
sigb
float64
c
float64
sigc
float64
alpha
float64
sigalpha
float64
beta
float64
sigbeta
float64
gamma
float64
siggamma
float64
vol
float64
sigvol
float64
celltemp
float64
sigcelltemp
float64
diffrtemp
float64
sigdiffrtemp
float64
cellpressure
float64
sigcellpressure
float64
diffrpressure
float64
sigdiffrpressure
float64
thermalhist
string
pressurehist
string
compoundsource
string
nel
string
sg
string
sgHall
string
sgNumber
int64
commonname
string
chemname
string
mineral
string
formula
string
calcformula
string
cellformula
string
Z
int64
Zprime
float64
acce_code
string
authors
string
title
string
journal
string
year
int64
volume
int64
issue
string
firstpage
string
lastpage
string
doi
string
method
string
radiation
string
wavelength
float64
radType
string
radSymbol
string
Rall
float64
Robs
float64
Rref
float64
wRall
float64
wRobs
float64
wRref
float64
RFsqd
float64
RI
float64
gofall
float64
gofobs
float64
gofgt
float64
gofref
float64
duplicateof
int64
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int64
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int64
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cif_text
string
1,011,153
5.14
0.02
8.9
0.02
18.54999
0.03
90
null
99.92
0.08
90
null
835.9
null
null
null
null
null
null
null
null
null
from Tres Cerritos, Mariposa Co., Calif.
4
C 1 2/c 1
-C 2yc
15
Dialuminium phyllo-tetrasilicate dihydroxide
Pyrophyllite 2M1
- Al2 H2 O12 Si4 -
- Al2 H3 O12 Si4 -
- Al8 H12 O48 Si16 -
4
0.5
Gruner, J W
The crystal structures of talc and pyrophyllite.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,934
88
412
419
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gruner, J W The crystal structures of talc and pyrophyllite. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 88 (1934) 412-419
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011153.cif $ #-------------------------------------------------------------------...
1,011,154
11.2
0.02
11.28
0.02
3.83
0.01
90
null
90
null
90
null
483.9
null
null
null
null
null
null
null
null
null
from Rezbanya
2
P b n m
-P 2c 2ab
62
Antimony trisulfide
Stibnite
- S3 Sb2 -
- S3 Sb2 -
- S12 Sb8 -
4
0.5
Hofmann, W.
Die struktur der minerale der animonitgruppe
Zeitschrift fur Kristallographie
1,933
86
225
245
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hofmann, W. Die struktur der minerale der animonitgruppe Zeitschrift fur Kristallographie 86 (1933) 225-245
282,068
2023-03-26
10:11:44
#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011154.cif $ #-------------------------------------------------------------------...
1,011,155
6.43
0.02
6.43
0.02
6.63
0.02
90
null
90
null
90
null
274.1
null
null
null
null
null
null
null
null
null
synthetic
2
P 42/m
-P 4c
84
Palladium sulfide
Vysotskite
- Pd S -
- Pd S -
- Pd8 S8 -
8
1
Gaskell, T F
The structure of braggite and palladium sulphide.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,937
96
203
213
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gaskell, T F The structure of braggite and palladium sulphide. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 96 (1937) 203-213
282,068
2023-03-26
10:11:44
#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011155.cif $ #-------------------------------------------------------------------...
1,011,156
7.126
null
7.126
null
6.179
null
90
null
90
null
90
null
313.8
null
null
null
null
null
null
null
null
null
synthetic at 1273-1373 K for 5 h
3
I 41/a m d 1
141
Yttrium vanadate
Wakefieldite (Y)
- O4 V Y -
- O4 V Y -
- O16 V4 Y4 -
4
null
Broch, E
Die Kristallstruktur von Yttriumvanadat
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie
1,933
20
345
350
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Broch, E Die Kristallstruktur von Yttriumvanadat Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 20 (1933) 345-350
77,586
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $ #$Revision: 77586 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011156.cif $ #--------------------------------------------------------------------...
1,011,157
8.68
null
8.68
null
8.68
null
90
null
90
null
90
null
654
null
null
null
null
null
null
null
null
null
ultramarine - artificial
7
P -4 3 n
P -4n 2 3
218
Sodium lithium aluminium silicon oxise sulfide hydrate *
Lithiu
- Al6 H1.7 Li4 Na4 O24.85 S2.05 Si6 -
- Al6 H3.4 Li4 Na4 O24.85 S2.05 Si6 -
- Al6 H3.4 Li4 Na4 O24.85 S2.05 Si6 -
1
0.041667
Podschus, E; Hofmann, U; Leschewski, K
Roentgenographische Strukturuntersuchungen von Ultramarinblau und seinen Reaktionsprodukten
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,936
228
305
333
10.1002/zaac.19362280402
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Podschus, E; Hofmann, U; Leschewski, K Roentgenographische Strukturuntersuchungen von Ultramarinblau und seinen Reaktionsprodukten Zeitschrift fuer Anorganische und Allgemeine Chemie 228 (1936) 305-333
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011157.cif $ #-------------------------------------------------------------------...
1,011,158
13.93
null
13.93
null
13.93
null
90
null
90
null
90
null
2,703
null
null
null
null
null
null
null
null
null
5
F d -3 m :1
F 4d 2 3 -1d
227
Dimagnesium hexasodium tetrakis(carbonate) sulfate(VI)
Tychite
- C4 Mg2 Na6 O16 S -
- C4 Mg2 Na6 O16 S -
- C32 Mg16 Na48 O128 S8 -
8
0.041667
Shiba, H; Watanabe, T
Les structures des cristaux de northupite, de northupite bromee et de tychite.
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,931
193
1421
1423
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Shiba, H; Watanabe, T Les structures des cristaux de northupite, de northupite bromee et de tychite. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 193 (1931) 1421-1423
208,902
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-07-07 04:59:37 +0300 (Sat, 07 Jul 2018) $ #$Revision: 208902 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011158.cif $ #-------------------------------------------------------------------...
7,015,192
7.732
0.0003
16.2417
0.0007
22.1839
0.001
90
null
90
null
90
null
2,785.9
0.2
100
2
100
2
null
null
null
null
5
P c a b
-P 2bc 2ac
61
- C18 H12 N2 O Pd -
- C18 H12 N2 O Pd -
- C144 H96 N16 O8 Pd8 -
8
1
Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Pérez, José; García, Luis; Serrano, J. Luis
Synthesis and luminescence properties of cyclopalladated complexes with S^N and O^N donor ligands.
Dalton transactions (Cambridge, England : 2003)
2,011
40
14
3537
3546
10.1039/c0dt01337d
0.71073
MoKα
0.0377
0.0361
null
null
0.0905
0.0916
null
null
null
null
null
1.106
null
null
has coordinates
Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Pérez, José; García, Luis; Serrano, J. Luis Synthesis and luminescence properties of cyclopalladated complexes with S^N and O^N donor ligands. Dalton transactions (Cambridge, England : 2003) 40(14) (2011) 3537-3546
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015192.cif $ #-------------------------------------------------------------------...
1,011,159
4.91
null
4.91
null
5.4
null
90
null
90
null
120
null
112.7
null
null
null
null
null
null
null
null
null
2
P 32 2 1 S
154
Silicon oxide
Quartz low
- O2 Si -
- O2 Si -
- O6 Si3 -
3
null
Machatschki, F
Kristallstruktur von Tiefquarz
Fortschritte der Mineralogie
1,936
20
45
47
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Machatschki, F Kristallstruktur von Tiefquarz Fortschritte der Mineralogie 20 (1936) 45-47
77,586
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $ #$Revision: 77586 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011159.cif $ #--------------------------------------------------------------------...
1,011,160
10.48
null
12.92
null
24.54999
null
90
null
90
null
90
null
3,324.1
null
null
null
null
null
null
null
null
null
synthetic
1
F d d d :1
F 2 2 -1d
70
Sulfur
Octasulfur - $-alpha
Sulfur
- S8 -
- S8 -
- S128 -
16
0.5
Warren, B E; Burwell, J T
The structure of rhombic sulphur
Journal of Chemical Physics
1,935
3
6
8
10.1063/1.1749557
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Warren, B E; Burwell, J T The structure of rhombic sulphur Journal of Chemical Physics 3 (1935) 6-8
301,772
2025-08-18
12:31:57
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011160.cif $ #-------------------------------------------------------------------...
1,011,161
10.74
null
10.74
null
8.64
null
90
null
90
null
120
null
863.1
null
null
null
null
null
null
null
null
null
from Schneeberg, Saxony
3
R 3 c :H
R 3 -2"c
161
Silver trithioarsenate(III)
Proustite
- Ag3 As S3 -
- Ag3 As S3 -
- Ag18 As6 S18 -
6
0.333333
Harker, D
The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3
Journal of Chemical Physics
1,936
4
381
390
10.1063/1.1749863
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Harker, D The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3 Journal of Chemical Physics 4 (1936) 381-390
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011161.cif $ #-------------------------------------------------------------------...
1,011,162
11.04
null
11.04
null
8.71
null
90
null
90
null
120
null
919.4
null
null
null
null
null
null
null
null
null
from Freiberg, Saxony
3
R 3 c :H
R 3 -2"c
161
Silver trithioantimonate(III)
Pyrargyrite
- Ag3 S3 Sb -
- Ag3 S3 Sb -
- Ag18 S18 Sb6 -
6
0.333333
Harker, D
The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3
Journal of Chemical Physics
1,936
4
381
390
10.1063/1.1749863
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Harker, D The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3 Journal of Chemical Physics 4 (1936) 381-390
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011162.cif $ #-------------------------------------------------------------------...
1,011,163
4.2816
null
4.2816
null
4.2816
null
90
null
90
null
90
null
78.5
null
null
null
null
null
null
null
null
null
synthetic at 1323 K for 1d, rapidly cooled
2
F m -3 m
-F 4 2 3
225
Iron oxide (0.91/1)
Wuestite
- Fe0.911 O -
- Fe0.911 O -
- Fe3.644 O4 -
4
0.020833
Jette, E R; Foote, F
An x-ray study of the wuestite (Fe O) solid solutions
Journal of Chemical Physics
1,933
1
29
36
10.1063/1.1749215
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
201,954
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 02:32:00 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201954 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011163.cif $ #-------------------------------------------------------------------...
1,011,164
4.2847
null
4.2847
null
4.2847
null
90
null
90
null
90
null
78.7
null
null
null
null
null
null
null
null
null
synthetic at 1323 K for 1d, rapidly cooled
2
F m -3 m
-F 4 2 3
225
Iron oxide (0.92/1)
Wuestite
- Fe0.918 O -
- Fe0.918 O -
- Fe3.672 O4 -
4
0.020833
Jette, E R; Foote, F
An x-ray study of the wuestite (Fe O) solid solutions
Journal of Chemical Physics
1,933
1
29
36
10.1063/1.1749215
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
202,026
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-16 01:16:12 +0300 (Mon, 16 Oct 2017) $ #$Revision: 202026 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011164.cif $ #-------------------------------------------------------------------...
1,011,165
4.2909
null
4.2909
null
4.2909
null
90
null
90
null
90
null
79
null
null
null
null
null
null
null
null
null
synthetic at 1323 K for 1d, rapidly cooled
2
F m -3 m
-F 4 2 3
225
Iron oxide (0.93/1)
Wuestite
- Fe0.929 O -
- Fe0.929 O -
- Fe3.716 O4 -
4
0.020833
Jette, E R; Foote, F
An x-ray study of the wuestite (Fe O) solid solutions
Journal of Chemical Physics
1,933
1
29
36
10.1063/1.1749215
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
202,026
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-16 01:16:12 +0300 (Mon, 16 Oct 2017) $ #$Revision: 202026 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011165.cif $ #-------------------------------------------------------------------...
1,011,166
4.2909
null
4.2909
null
4.2909
null
90
null
90
null
90
null
79
null
null
null
null
null
null
null
null
null
synthetic at 1323 K for 1d, rapidly cooled
2
F m -3 m
-F 4 2 3
225
Iron oxide (0.93/1)
Wuestite
- Fe0.932 O -
- Fe0.932 O -
- Fe3.728 O4 -
4
0.020833
Jette, E R; Foote, F
An x-ray study of the wuestite (Fe O) solid solutions
Journal of Chemical Physics
1,933
1
29
36
10.1063/1.1749215
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
202,026
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-16 01:16:12 +0300 (Mon, 16 Oct 2017) $ #$Revision: 202026 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011166.cif $ #-------------------------------------------------------------------...
1,011,167
4.2997
null
4.2997
null
4.2997
null
90
null
90
null
90
null
79.5
null
null
null
null
null
null
null
null
null
synthetic at 1323 K for 1d, rapidly cooled
2
F m -3 m
-F 4 2 3
225
Iron oxide (0.94/1)
Wuestite
- Fe0.944 O -
- Fe0.944 O -
- Fe3.776 O4 -
4
0.020833
Jette, E R; Foote, F
An x-ray study of the wuestite (Fe O) solid solutions
Journal of Chemical Physics
1,933
1
29
36
10.1063/1.1749215
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
201,954
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 02:32:00 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201954 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011167.cif $ #-------------------------------------------------------------------...
7,015,191
9.8956
0.0004
28.7252
0.0012
12.3772
0.0005
90
null
106.029
0.001
90
null
3,381.5
0.2
100
2
100
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C35 H27 Cl3 N6 Pd2 S2 -
- C35 H27 Cl3 N6 Pd2 S2 -
- C140 H108 Cl12 N24 Pd8 S8 -
4
1
Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Pérez, José; García, Luis; Serrano, J. Luis
Synthesis and luminescence properties of cyclopalladated complexes with S^N and O^N donor ligands.
Dalton transactions (Cambridge, England : 2003)
2,011
40
14
3537
3546
10.1039/c0dt01337d
0.71073
MoKα
0.0461
0.0432
null
null
0.0965
0.0988
null
null
null
null
null
1.179
null
null
has coordinates
Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Pérez, José; García, Luis; Serrano, J. Luis Synthesis and luminescence properties of cyclopalladated complexes with S^N and O^N donor ligands. Dalton transactions (Cambridge, England : 2003) 40(14) (2011) 3537-3546
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015191.cif $ #-------------------------------------------------------------------...
1,011,168
4.301
null
4.301
null
4.301
null
90
null
90
null
90
null
79.6
null
null
null
null
null
null
null
null
null
synthetic at 1323 K for 1d, rapidly cooled
2
F m -3 m
-F 4 2 3
225
Iron oxide (0.94/1)
Wuestite
- Fe0.944 O -
- Fe0.944 O -
- Fe3.776 O4 -
4
0.020833
Jette, E R; Foote, F
An x-ray study of the wuestite (Fe O) solid solutions
Journal of Chemical Physics
1,933
1
29
36
10.1063/1.1749215
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
201,954
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 02:32:00 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201954 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011168.cif $ #-------------------------------------------------------------------...
1,011,169
4.332
null
4.332
null
4.332
null
90
null
90
null
90
null
81.3
null
null
null
null
null
null
null
null
null
hypothetical stoichometric end-member
2
F m -3 m
-F 4 2 3
225
Iron oxide
Wuestite
- Fe O -
- Fe O -
- Fe4 O4 -
4
0.020833
Jette, E R; Foote, F
An x-ray study of the wuestite (Fe O) solid solutions
Journal of Chemical Physics
1,933
1
29
36
10.1063/1.1749215
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
201,954
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 02:32:00 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201954 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011169.cif $ #-------------------------------------------------------------------...
1,011,170
5.47
null
5.47
null
12.08
null
90
null
90
null
90
null
361.4
null
null
null
null
null
null
null
null
null
3
I 41/a :1
I 4bw -1bw
88
Lead molybdate
Wulfenite
- Mo O4 Pb -
- Mo O Pb -
- Mo4 O4 Pb4 -
4
0.25
Dickinson, R G
The crystal structure of wulfenite and scheelite
Journal of the American Chemical Society
1,920
42
85
93
10.1021/ja01446a012
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Dickinson, R G The crystal structure of wulfenite and scheelite Journal of the American Chemical Society 42 (1920) 85-93
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011170.cif $ #-------------------------------------------------------------------...
1,011,171
5.62
null
5.62
null
11.4
null
90
null
90
null
90
null
360.1
null
null
null
null
null
null
null
null
null
from Korea
3
I 41/a :1
I 4bw -1bw
88
Calcium tungstate
Scheelite
- Ca O4 W -
- Ca O W -
- Ca4 O4 W4 -
4
0.25
Dickinson, R G
The crystal structure of wulfenite and scheelite
Journal of the American Chemical Society
1,920
42
85
93
10.1021/ja01446a012
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Dickinson, R G The crystal structure of wulfenite and scheelite Journal of the American Chemical Society 42 (1920) 85-93
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011171.cif $ #-------------------------------------------------------------------...
1,011,172
4.913
null
4.913
null
5.405
null
90
null
90
null
120
null
113
null
null
null
null
null
null
null
null
null
2
P 31 2 1
P 31 2"
152
Silicon oxide $-alpha
Quartz low
- O2 Si -
- O2 Si -
- O6 Si3 -
3
0.5
Brill, R; Hermann, C; Peters, C
Studien ueber chemische Bindung mittels Fourieranalyse III. Die Bindung im Quarz
Naturwissenschaften
1,939
27
676
677
10.1007/BF01494994
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Brill, R; Hermann, C; Peters, C Studien ueber chemische Bindung mittels Fourieranalyse III. Die Bindung im Quarz Naturwissenschaften 27 (1939) 676-677
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011172.cif $ #-------------------------------------------------------------------...
1,011,173
4.22
null
4.22
null
4.22
null
90
null
90
null
90
null
75.2
null
null
null
null
null
null
null
null
null
2
F m -3 m
-F 4 2 3
225
Magnesium oxide
Periclase
- Mg O -
- Mg O -
- Mg4 O4 -
4
0.020833
Bragg, W L
Crystal structure
Nature (London)
1,920
105
646
648
10.1038/105646a0
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bragg, W L Crystal structure Nature (London) 105 (1920) 646-648
201,954
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 02:32:00 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201954 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011173.cif $ #-------------------------------------------------------------------...
1,011,174
11.48
0.01
4.36
0.005
3.555
0.005
90
null
90
null
90
null
177.9
null
null
null
null
null
null
null
null
null
synthetic from melt
2
P m n 21
P 2ac -2
31
Vanadium oxide
Shcherbianite
- O5 V2 -
- O5 V2 -
- O10 V4 -
2
0.5
Ketelaar, J A A
Crystal structure and shape of colloidal particles of vanadium pentoxide
Nature (London)
1,936
137
316
316
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ketelaar, J A A Crystal structure and shape of colloidal particles of vanadium pentoxide Nature (London) 137 (1936) 316-316
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011174.cif $ #-------------------------------------------------------------------...
1,011,175
3.89
null
3.89
null
7.37
null
90
null
90
null
90
null
111.5
null
null
null
null
null
null
null
null
null
synthetic
3
P 4/n m m :1
P 4ab 2ab -1ab
129
Bismuth oxide chloride
Bismoclite
- Bi Cl O -
- Bi Cl O -
- Bi2 Cl2 O2 -
2
0.125
Bannister, F A
Crystal structure of bismuth oxyhalides
Nature (London)
1,934
134
856
857
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bannister, F A Crystal structure of bismuth oxyhalides Nature (London) 134 (1934) 856-857
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011175.cif $ #-------------------------------------------------------------------...
1,011,176
4.9
null
4.9
null
5.4
null
90
null
90
null
120
null
112.3
null
null
null
null
null
null
null
null
null
2
P 32 2 1 S
154
Silicon oxide - $-alpha
Quartz low
- O2 Si -
- O2 Si -
- O6 Si3 -
3
null
Machatschki, F
Die Kristallstruktur von Tiefquarz Si O2 und Aluminiumorthoarsenat Al As O4
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,936
94
222
230
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Machatschki, F Die Kristallstruktur von Tiefquarz Si O2 und Aluminiumorthoarsenat Al As O4 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 222-230
77,586
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $ #$Revision: 77586 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011176.cif $ #--------------------------------------------------------------------...
1,011,177
12.18
null
12.18
null
12.18
null
90
null
90
null
90
null
1,806.9
null
null
null
null
null
null
null
null
null
alum - synthetic
5
P a -3
-P 2ac 2ab 3
205
Potassium aluminium sulfate(VI) dodecahydrate
Alum-K
- Al H24 K O20 S2 -
- Al H24 K O20 S2 -
- Al4 H96 K4 O80 S8 -
4
0.166667
Beevers, C A; Lipson, H
Crystal structure of the alums
Nature (London)
1,934
134
327
327
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Beevers, C A; Lipson, H Crystal structure of the alums Nature (London) 134 (1934) 327-327
301,772
2025-08-18
12:31:57
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011177.cif $ #-------------------------------------------------------------------...
1,011,178
3.43
null
3.43
null
5.68
null
90
null
90
null
120
null
57.9
null
null
null
null
null
null
null
null
null
from Freiberg, Saxony
2
P 63/m m c
-P 6c 2c
194
Iron sulfide (.95/1.05)
Pyrrhotite 1T subcell
- Fe0.95 S1.05 -
- Fe0.95 S1.05 -
- Fe1.9 S2.1 -
2
0.083333
Alsen, N
Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen
Geologiska Foereningens i Stockholm Foerhandlingar
1,925
47
19
73
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Alsen, N Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen Geologiska Foereningens i Stockholm Foerhandlingar 47 (1925) 19-73
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011178.cif $ #-------------------------------------------------------------------...
7,015,190
12.2047
0.0005
11.7402
0.0005
14.5635
0.0006
90
null
114.478
0.001
90
null
1,899.18
0.14
100
2
100
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C24 H17 Cl N2 O Pd -
- C24 H17 Cl N2 O Pd -
- C96 H68 Cl4 N8 O4 Pd4 -
4
1
Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Pérez, José; García, Luis; Serrano, J. Luis
Synthesis and luminescence properties of cyclopalladated complexes with S^N and O^N donor ligands.
Dalton transactions (Cambridge, England : 2003)
2,011
40
14
3537
3546
10.1039/c0dt01337d
0.71073
MoKα
0.0242
0.0227
null
null
0.0543
0.0553
null
null
null
null
null
1.043
null
null
has coordinates
Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Pérez, José; García, Luis; Serrano, J. Luis Synthesis and luminescence properties of cyclopalladated complexes with S^N and O^N donor ligands. Dalton transactions (Cambridge, England : 2003) 40(14) (2011) 3537-3546
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015190.cif $ #-------------------------------------------------------------------...
1,011,179
3.43
null
3.43
null
5.79
null
90
null
90
null
120
null
59
null
null
null
null
null
null
null
null
null
2
P 63/m m c
-P 6c 2c
194
Iron sulfide (1.05/.95)
Pyrrhotite
- Fe1.05 S0.95 -
- Fe1.05 S0.95 -
- Fe2.1 S1.9 -
2
0.083333
Alsen, N
Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen
Geologiska Foereningens i Stockholm Foerhandlingar
1,925
47
19
73
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Alsen, N Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen Geologiska Foereningens i Stockholm Foerhandlingar 47 (1925) 19-73
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011179.cif $ #-------------------------------------------------------------------...
1,011,180
3.43
null
3.43
null
5.79
null
90
null
90
null
120
null
59
null
null
null
null
null
null
null
null
null
from Del Norte Co., California
2
P 63/m m c
-P 6c 2c
194
Iron sulfide
Troilite subcell
- Fe S -
- Fe S -
- Fe2 S2 -
2
0.083333
Alsen, N
Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen
Geologiska Foereningens i Stockholm Foerhandlingar
1,925
47
19
73
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Alsen, N Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen Geologiska Foereningens i Stockholm Foerhandlingar 47 (1925) 19-73
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011180.cif $ #-------------------------------------------------------------------...
1,011,181
10.04
0.07
10.04
0.07
10.04
0.07
90
null
90
null
90
null
1,012
null
null
null
null
null
null
null
null
null
from Bavaria, Germany and Sudbury, Canada
3
F m -3 m
-F 4 2 3
225
Iron nickel sulfide
Pentlandite
- Fe Ni S2 -
- Fe Ni S2 -
- Fe16 Ni16 S32 -
16
0.083333
Alsen, N
Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen
Geologiska Foereningens i Stockholm Foerhandlingar
1,925
47
19
73
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Alsen, N Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen Geologiska Foereningens i Stockholm Foerhandlingar 47 (1925) 19-73
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011181.cif $ #-------------------------------------------------------------------...
1,011,182
10.15
null
10.15
null
10.15
null
90
null
90
null
90
null
1,045.7
null
null
null
null
null
null
null
null
null
from Searles Lake, California, USA
5
F m -3 m
-F 4 2 3
225
Sodium bis(sulfate(VI)) fluoride chloride
Sulphohalite
- Cl F Na6 O8 S2 -
- Cl F Na6 O8 S2 -
- Cl4 F4 Na24 O32 S8 -
4
0.020833
Watanabé, Tokunosuké
The crystal structure of sulphohalite
Proceedings of the Imperial Academy (Tokyo)
1,934
10
9
575
577
10.2183/pjab1912.10.575
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Watanabé, Tokunosuké The crystal structure of sulphohalite Proceedings of the Imperial Academy (Tokyo) 10(9) (1934) 575-577
176,254
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-07 20:15:22 +0200 (Sun, 07 Feb 2016) $ #$Revision: 176254 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011182.cif $ #-------------------------------------------------------------------...
1,011,183
5.5
null
11.75
null
5.59
null
90
null
90
null
90
null
361.3
null
null
null
null
null
null
null
null
null
from Rendaizi mine, Izu Peninsula, Shizuoka Prefecture
2
P c a b
-P 2bc 2ac
61
Tellurium oxide
Tellurite
- O2 Te -
- O2 Te -
- O16 Te8 -
8
1
Ito, T; Sawada, H
The crystal structure of tellurite (Te O2)
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,940
102
13
25
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ito, T; Sawada, H The crystal structure of tellurite (Te O2) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 102 (1940) 13-25
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011183.cif $ #-------------------------------------------------------------------...
7,015,189
9.6472
0.0004
11.744
0.0005
11.9908
0.0005
101.132
0.002
93.506
0.002
106.257
0.001
1,270.05
0.09
298
2
298
2
null
null
null
null
7
P 1
P 1
1
- C50 H40 Cl6 Mo O6 P2 Re -
- C50 H40 Cl6 Mo O6 P2 Re -
- C50 H40 Cl6 Mo O6 P2 Re -
1
1
Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Faus, Juan
Synthesis, crystal structure and magnetic properties of an oxalato-bridged Re(IV)Mo(VI) heterobimetallic complex.
Dalton transactions (Cambridge, England : 2003)
2,011
40
18
4818
4820
10.1039/c0dt01323d
0.71073
MoKα
0.0886
0.0822
null
null
0.2128
0.2193
null
null
null
null
null
1.082
null
null
has coordinates
Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Faus, Juan Synthesis, crystal structure and magnetic properties of an oxalato-bridged Re(IV)Mo(VI) heterobimetallic complex. Dalton transactions (Cambridge, England : 2003) 40(18) (2011) 4818-4820
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015189.cif $ #-------------------------------------------------------------------...
1,011,184
5.85
null
12.29
null
9.75
null
90
null
90
null
90
null
701
null
null
null
null
null
null
null
null
null
synthetic
3
F d d d :2
-F 2uv 2vw
70
Sodium sulfate(VI)
Thenardite
- Na2 O4 S -
- Na2 O4 S -
- Na16 O32 S8 -
8
0.25
Zachariasen, W H; Ziegler, G E
The crystal structure of anhydrous sodium sulfate Na2 S O4
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,932
81
92
101
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zachariasen, W H; Ziegler, G E The crystal structure of anhydrous sodium sulfate Na2 S O4 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 81 (1932) 92-101
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011184.cif $ #-------------------------------------------------------------------...
1,011,185
8.87
null
8.87
null
8.87
null
90
null
90
null
90
null
697.9
null
null
null
null
null
null
null
null
null
from Bancroft, Ontario
5
P -4 3 n
P -4n 2 3
218
Octasodium tecto-hexaalumohexasilicate dichloride
Sodalite
- Al6 Cl2 Na8 O24 Si6 -
- Al6 Cl2 Na8 O24 Si6 -
- Al6 Cl2 Na8 O24 Si6 -
1
0.041667
Pauling, L
The structure of sodalite and helvite
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,930
74
213
225
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pauling, L The structure of sodalite and helvite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 74 (1930) 213-225
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011185.cif $ #-------------------------------------------------------------------...
1,011,186
5.92
null
10.4
null
7.61
null
90
null
90
null
90
null
468.5
null
null
null
null
null
null
null
null
null
synthetic
3
P m c n
-P 2n 2a
62
Potassium chromate
Tarapacaite
- Cr K2 O4 -
- Cr K2 O4 -
- Cr4 K8 O16 -
4
0.5
Zachariasen, W H; Ziegler, G E
The crystal structure of potassium chromate K2 Cr O4
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,931
80
164
173
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zachariasen, W H; Ziegler, G E The crystal structure of potassium chromate K2 Cr O4 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 80 (1931) 164-173
301,772
2025-08-18
12:31:57
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011186.cif $ #-------------------------------------------------------------------...
1,011,187
8.45
null
12.95
null
7.1
null
90
null
116.1
null
90
null
697.7
null
null
null
null
null
null
null
null
null
from Mt. Vesuvius, Italy
4
C 1 2/m 1
-C 2y
12
Potassium tecto-alumotrisilicate
Sanidine
- Al K O8 Si3 -
- Al K O8 Si3 -
- Al4 K4 O32 Si12 -
4
0.5
Taylor, W H
The structure of sanidine and other felspars
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,934
87
464
481
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Taylor, W H The structure of sanidine and other felspars Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 87 (1934) 464-481
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011187.cif $ #-------------------------------------------------------------------...
1,011,188
6.008
0.01
3.784
0.01
14.456
0.03
90
null
90
null
90
null
328.6
null
null
null
null
null
null
null
null
null
from Guadiz, Spain and Wolfsberg, Harz, Germany
3
P n m a
-P 2ac 2n
62
Antimony copper(I) sulfide
Wolfsbergite
- Cu S2 Sb -
- Cu S2 Sb -
- Cu4 S8 Sb4 -
4
0.5
Hofmann, W
Strukturelle und morphologische Zusammenhaenge bei Erzen vom Formeltyp ABC2
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,932
84
177
203
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hofmann, W Strukturelle und morphologische Zusammenhaenge bei Erzen vom Formeltyp ABC2 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 84 (1932) 177-203
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011188.cif $ #-------------------------------------------------------------------...
7,015,188
6.6012
0.0002
14.1846
0.0005
21.3931
0.0006
90
null
91.785
0.003
90
null
2,002.18
0.11
200
2
200
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C24 H18 N4 Se -
- C24 H18 N4 Se -
- C96 H72 N16 Se4 -
4
1
Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Butcher, Ray J.
Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4489
4496
10.1039/c0dt01319f
0.71073
MoKα
0.1317
0.0817
null
null
0.1888
0.2109
null
null
null
null
null
1.112
null
null
has coordinates
Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Butcher, Ray J. Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4489-4496
301,847
2025-08-21
11:39:33
#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015188.cif $ #-------------------------------------------------------------------...
1,011,189
6.8
null
6.8
null
18.29999
null
90
null
90
null
90
null
846.2
null
null
null
null
null
null
null
null
null
synthetic by slow evaporation at RT
4
P 41 21 2
P 4abw 2nw
92
Nickel sulfate(VI) hexahydrate
Retgersite
- H12 Ni O10 S -
- H12 Ni O10 S -
- H48 Ni4 O40 S4 -
4
0.5
Beevers, C. A.; Lipson, H.
The crystal structure of nickel sulphate hexahydrate NiSO4 * 6H2O Locality: synthetic
Zeitschrift fur Kristallographie
1,932
83
123
135
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Beevers, C. A.; Lipson, H. The crystal structure of nickel sulphate hexahydrate NiSO4 * 6H2O Locality: synthetic Zeitschrift fur Kristallographie 83 (1932) 123-135
301,772
2025-08-18
12:31:57
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011189.cif $ #-------------------------------------------------------------------...
1,011,190
10.272
0.008
10.272
0.008
10.272
0.008
90
null
90
null
90
null
1,083.8
null
null
null
null
null
null
null
null
null
from St. Marcel, Piemont, Italy
5
F d -3 m :1
F 4d 2 3 -1d
227
Sodium calcium diantimonate hydroxide
Romeite
- Ca H Na O7 Sb2 -
- Ca H2 Na O7 Sb2 -
- Ca8 H16 Na8 O56 Sb16 -
8
0.041667
Zedlitz, O
Die Kristallstruktur von Romeit und Schneebergit
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,932
81
253
263
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zedlitz, O Die Kristallstruktur von Romeit und Schneebergit Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 81 (1932) 253-263
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011190.cif $ #-------------------------------------------------------------------...
1,011,191
9.5
null
8.3
null
5.24
null
90
null
69.67
null
90
null
387.4
null
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
Lithium aluminium catena-disilicate *
Spodumene
- Al Li O6 Si2 -
- Al Li O6 Si2 -
- Al4 Li4 O24 Si8 -
4
0.5
Warren, B E; Biscoe, J
The crystal structure of monoclinic pyroxenes
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,931
80
391
401
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Warren, B E; Biscoe, J The crystal structure of monoclinic pyroxenes Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 80 (1931) 391-401
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011191.cif $ #-------------------------------------------------------------------...
1,011,192
6.008
null
3.784
null
14.456
null
90
null
90
null
90
null
328.6
null
null
null
null
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
Copper(I) antimony sulfide
Wolfsbergite
- Cu S2 Sb -
- Cu S2 Sb -
- Cu4 S8 Sb4 -
4
0.5
Hofmann, W
Strukturelle und morphologische Zusammenhaenge bei Erzen vom Formeltyp A B C2
Fortschritte der Mineralogie
1,932
17
422
425
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hofmann, W Strukturelle und morphologische Zusammenhaenge bei Erzen vom Formeltyp A B C2 Fortschritte der Mineralogie 17 (1932) 422-425
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011192.cif $ #-------------------------------------------------------------------...
1,011,193
4.198
null
4.198
null
4.198
null
90
null
90
null
90
null
74
null
null
null
null
null
null
null
null
null
synthetic
2
F m -3 m
-F 4 2 3
225
Magnesium oxide
Periclase
- Mg O -
- Mg O -
- Mg4 O4 -
4
0.020833
Schiebold, E
Ueber die Kristallstruktur des Periclas.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,921
56
430
430
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Schiebold, E Ueber die Kristallstruktur des Periclas. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 56 (1921) 430-430
202,026
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-16 01:16:12 +0300 (Mon, 16 Oct 2017) $ #$Revision: 202026 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011193.cif $ #-------------------------------------------------------------------...
1,011,194
4.67
null
3.43
null
5.12
null
90
null
99.53
null
90
null
80.9
null
null
null
null
null
null
null
null
null
2
C 1 2/c 1
-C 2yc
15
Copper oxide
Tenorite
- Cu O -
- Cu O -
- Cu4 O4 -
4
0.5
Niggli, P
Die Kristallstruktur einiger Oxyde I.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,922
57
253
299
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Niggli, P Die Kristallstruktur einiger Oxyde I. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 57 (1922) 253-299
202,026
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-16 01:16:12 +0300 (Mon, 16 Oct 2017) $ #$Revision: 202026 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011194.cif $ #-------------------------------------------------------------------...
1,011,195
3.8
null
3.8
null
6.23
null
90
null
90
null
120
null
77.9
null
null
null
null
null
null
null
null
null
from Pribram, Bohemia
2
P 63 m c
P 6c -2c
186
Zinc sulfide
Wurtzite 2H
- S Zn -
- S Zn -
- S2 Zn2 -
2
0.166667
Aminoff, G.
Untersuchungen ueber die kristallstrukturen von wurtzit und rotnickelkies
Zeitschrift fur Kristallographie
1,923
58
203
219
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Aminoff, G. Untersuchungen ueber die kristallstrukturen von wurtzit und rotnickelkies Zeitschrift fur Kristallographie 58 (1923) 203-219
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011195.cif $ #-------------------------------------------------------------------...
7,015,187
21.7803
0.0005
7.4278
0.0002
28.0087
0.0008
90
null
90
null
90
null
4,531.2
0.2
200
2
200
2
null
null
null
null
5
P b c a
-P 2ac 2ab
61
- C12 H9 Cl N2 Se -
- C12 H9 Cl N2 Se -
- C192 H144 Cl16 N32 Se16 -
16
2
Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Butcher, Ray J.
Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4489
4496
10.1039/c0dt01319f
0.71073
MoKα
0.1585
0.0639
null
null
0.1548
0.2254
null
null
null
null
null
1.094
null
null
has coordinates
Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Butcher, Ray J. Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4489-4496
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015187.cif $ #-------------------------------------------------------------------...
1,011,196
3.836
null
3.836
null
6.277
null
90
null
90
null
120
null
80
null
null
null
null
null
null
null
null
null
synthetic at 1373 K
2
P 63 m c
P 6c -2c
186
Zinc sulfide - $-alpha
Wurtzite 2H
- S Zn -
- S Zn -
- S2 Zn2 -
2
0.166667
Ulrich, F.; Zachariasen, W. H.
Ueber die kristallstruktur des alpha- und beta-CdS, sowie des wurtzits Locality: synthetic
Zeitschrift fur Kristallographie
1,925
62
260
273
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ulrich, F.; Zachariasen, W. H. Ueber die kristallstruktur des alpha- und beta-CdS, sowie des wurtzits Locality: synthetic Zeitschrift fur Kristallographie 62 (1925) 260-273
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011196.cif $ #-------------------------------------------------------------------...
1,011,197
4.42
null
9.39
null
5.47
null
90
null
90
null
90
null
227
null
null
null
null
null
null
null
null
null
natural
3
P b n m
-P 2c 2ab
62
Beryllium dialuminium oxide
Chrysoberyl
- Al2 Be O4 -
- Al2 Be O4 -
- Al8 Be4 O16 -
4
0.5
Bragg, W L; Brown, G B
Die Kristallstruktur von Crysoberyll (Be Al2 O4).
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,926
63
122
143
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bragg, W L; Brown, G B Die Kristallstruktur von Crysoberyll (Be Al2 O4). Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 63 (1926) 122-143
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011197.cif $ #-------------------------------------------------------------------...
1,011,198
4.303
null
4.303
null
4.303
null
90
null
90
null
90
null
79.7
null
null
null
null
null
null
null
null
null
synthetic from melt (Fe3 O4 + Fe)
2
F m -3 m
-F 4 2 3
225
Iron oxide
Wuestite
- Fe O -
- Fe O -
- Fe4 O4 -
4
0.020833
Wyckoff, R W G; Crittenden, E D
Herstellung und Kristallstruktur von Ferrooxyd (Fe O).
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,926
63
144
147
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Wyckoff, R W G; Crittenden, E D Herstellung und Kristallstruktur von Ferrooxyd (Fe O). Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 63 (1926) 144-147
201,954
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 02:32:00 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201954 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011198.cif $ #-------------------------------------------------------------------...
1,011,199
6.04
null
6.04
null
6.04
null
90
null
90
null
90
null
220.3
null
null
null
null
null
null
null
null
null
2
F -4 3 m
F -4 2 3
216
Mercury selenide
Tiemannite
- Hg Se -
- Hg Se -
- Hg4 Se4 -
4
0.041667
de Jong, W F
Die Struktur des Tiemannit und Koloradoit.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,926
63
466
472
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
de Jong, W F Die Struktur des Tiemannit und Koloradoit. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 63 (1926) 466-472
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/11/1011199.cif $ #-------------------------------------------------------------------...
1,011,200
5.013
null
5.013
null
5.47
null
90
null
90
null
120
null
119
null
null
null
null
null
null
null
null
null
2
P 62 2 2
P 62 2 (0 0 4)
180
Silicon oxide - β
Quartz high
- O2 Si -
- O2 Si -
- O6 Si3 -
3
0.25
Wyckoff, Ralph W. G.
XXIX. Kriterien für hexagonale Raumgruppen und die Kristallstruktur von β-quarz
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,926
63
1-6
507
537
10.1524/zkri.1926.63.1.507
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Wyckoff, Ralph W. G. XXIX. Kriterien für hexagonale Raumgruppen und die Kristallstruktur von β-quarz Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 63(1-6) (1926) 507-537
200,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-01 21:55:57 +0300 (Fri, 01 Sep 2017) $ #$Revision: 200080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011200.cif $ #-------------------------------------------------------------------...
7,015,186
4.7893
0.0002
18.4538
0.001
13.7159
0.0009
90
null
91.237
0.006
90
null
1,211.94
0.11
200
2
200
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C12 H9 I N2 Se -
- C12 H9 I N2 Se -
- C48 H36 I4 N8 Se4 -
4
1
Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Butcher, Ray J.
Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4489
4496
10.1039/c0dt01319f
0.71073
MoKα
0.1091
0.0509
null
null
0.1101
0.121
null
null
null
null
null
0.868
null
null
has coordinates
Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Butcher, Ray J. Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4489-4496
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015186.cif $ #-------------------------------------------------------------------...
1,011,201
11.14
null
11.14
null
11.14
null
90
null
90
null
90
null
1,382.5
null
null
null
null
null
null
null
null
null
synthetic
2
F d -3 m :1
F 4d 2 3 -1d
227
Antimony oxide
Senarmontite
- O3 Sb2 -
- O3 Sb2 -
- O48 Sb32 -
16
0.083333
Dehlinger, U.
Uber die kristallstruktur der antimonoxyde
Zeitschrift fur Kristallographie
1,927
66
108
119
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Dehlinger, U. Uber die kristallstruktur der antimonoxyde Zeitschrift fur Kristallographie 66 (1927) 108-119
282,067
2023-03-26
7:49:21
#------------------------------------------------------------------------------ #$Date: 2023-03-26 10:30:59 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282067 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011201.cif $ #-------------------------------------------------------------------...
1,011,202
4.815
null
11.08
null
6.37
null
90
null
90
null
90
null
339.8
null
null
null
null
null
null
null
null
null
4
P b n m
-P 2c 2ab
62
Calcium magnesium silicate
Monticellite
- Ca Mg O4 Si -
- Ca Mg O4 Si -
- Ca4 Mg4 O16 Si4 -
4
0.5
Brown, G B; West, J
The structure of monticellite (Mg Ca Si O4).
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,927
66
154
161
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Brown, G B; West, J The structure of monticellite (Mg Ca Si O4). Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 66 (1927) 154-161
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011202.cif $ #-------------------------------------------------------------------...
1,011,203
8.189
0.002
8.189
0.002
8.189
0.002
90
null
90
null
90
null
549.2
null
null
null
null
null
null
null
null
null
from Skutterud, Norway
2
I m -3
-I 2 2 3
204
Cobalt arsenide (1/3)
Skutterudite
- As3 Co -
- As3 Co -
- As24 Co8 -
8
0.166667
Oftedal, I
Die Kristallstruktur von Skutterdit und Speiskobalt-Chloanthit.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,927
66
517
546
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Oftedal, I Die Kristallstruktur von Skutterdit und Speiskobalt-Chloanthit. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 66 (1927) 517-546
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011203.cif $ #-------------------------------------------------------------------...
1,011,204
7.43
0.03
7.58
0.03
5.74
0.02
90
null
90
null
90
null
323.3
null
null
null
null
null
null
null
null
null
from North America
3
P b n m
-P 2c 2ab
62
Dialuminium silicate oxide
Sillimanite
- Al2 O5 Si -
- Al2 O5 Si -
- Al8 O20 Si4 -
4
0.5
Taylor, W H
The structure of sillimanite and mullite.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,928
68
503
521
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Taylor, W H The structure of sillimanite and mullite. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 68 (1928) 503-521
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011204.cif $ #-------------------------------------------------------------------...
1,011,205
8.6
null
13.02
null
7.22
null
90
null
116.05
null
90
null
726.3
null
null
null
null
null
null
null
null
null
from Mogok, Upper Burma, (Spencer C)
4
C 1 2/m 1
-C 2y
12
Potassium tecto-alumotrisilicate
Orthoclase
- Al K O8 Si3 -
- Al K O8 Si3 -
- Al4 K4 O32 Si12 -
4
0.5
Chao, S H; Hargreaves, A; Taylor, W H
The structure of orthoclase.
Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)
1,940
25
498
512
10.1180/minmag.1940.025.168.05
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Chao, S H; Hargreaves, A; Taylor, W H The structure of orthoclase. Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968) 25 (1940) 498-512
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011205.cif $ #-------------------------------------------------------------------...
1,011,206
9.927
null
9.927
null
9.927
null
90
null
90
null
90
null
978.3
null
null
null
null
null
null
null
null
null
synthetic at 923 K
2
F m -3 m
-F 4 2 3
225
Cobalt sulfide (9/8)
Cobaltpentlandite
- Co9 S8 -
- Co9 S8 -
- Co36 S32 -
4
0.020833
Lindqvist, M; Lindqvist, D; Westgren, A
The crystal structure of Co9 S8 and of pentlandite (Ni Fe)9 S8
Svensk Kemisk Tidskrift
1,936
48
156
160
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lindqvist, M; Lindqvist, D; Westgren, A The crystal structure of Co9 S8 and of pentlandite (Ni Fe)9 S8 Svensk Kemisk Tidskrift 48 (1936) 156-160
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011206.cif $ #-------------------------------------------------------------------...
1,011,207
10.09
null
10.09
null
10.09
null
90
null
90
null
90
null
1,027.2
null
null
null
null
null
null
null
null
null
annealed at 923 K
synthetic from elements, annealed at 923 K
3
F m -3 m
-F 4 2 3
225
Nickel iron sulfide (9/9/16)
Pentlandite
- Fe9 Ni9 S16 -
- Fe9 Ni9 S16 -
- Fe18 Ni18 S32 -
2
0.010417
Lindqvist, M; Lindqvist, D; Westgren, A
The crystal structure of Co9 S8 and of pentlandite (Ni Fe)9 S8
Svensk Kemisk Tidskrift
1,936
48
156
160
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lindqvist, M; Lindqvist, D; Westgren, A The crystal structure of Co9 S8 and of pentlandite (Ni Fe)9 S8 Svensk Kemisk Tidskrift 48 (1936) 156-160
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011207.cif $ #-------------------------------------------------------------------...
7,015,185
5.004
0.0003
15.4165
0.0008
15.0856
0.0005
90
null
90.843
0.003
90
null
1,163.64
0.1
200
2
200
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C12 H9 Br N2 Se -
- C12 H9 Br N2 Se -
- C48 H36 Br4 N8 Se4 -
4
1
Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Butcher, Ray J.
Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4489
4496
10.1039/c0dt01319f
0.71073
MoKα
0.082
0.0327
null
null
0.0526
0.0571
null
null
null
null
null
0.84
7,015,184
null
has coordinates
Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Butcher, Ray J. Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4489-4496
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015185.cif $ #-------------------------------------------------------------------...
1,011,208
9.91
null
9.91
null
9.91
null
90
null
90
null
90
null
973.2
null
null
null
null
null
null
null
null
null
annealed at 923 K
synthetic from elements, annealed at 923 K
3
F m -3 m
-F 4 2 3
225
Iron nickel sulfide (9/8)
Pentlandite
- Fe6 Ni3 S8 -
- Fe6.003 Ni2.997 S8 -
- Fe24.012 Ni11.988 S32 -
4
0.020833
Lindqvist, M; Lindqvist, D; Westgren, A
The crystal structure of Co9 S8 and of pentlandite (Ni Fe)9 S8
Svensk Kemisk Tidskrift
1,936
48
156
160
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lindqvist, M; Lindqvist, D; Westgren, A The crystal structure of Co9 S8 and of pentlandite (Ni Fe)9 S8 Svensk Kemisk Tidskrift 48 (1936) 156-160
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011208.cif $ #-------------------------------------------------------------------...
1,011,209
12.157
0.002
12.157
0.002
12.157
0.002
90
null
90
null
90
null
1,796.7
null
null
null
null
null
null
null
null
null
alum - synthetic
5
P a -3
-P 2ac 2ab 3
205
Potassium aluminium bis(sulfate(VI) dodecahydrate
Potassiu
- Al H24 K O20 S2 -
- Al H24 K O20 S2 -
- Al4 H96 K4 O80 S8 -
4
0.166667
Lipson, H; Beevers, C A
The crystal structure of the alums
Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)
1,934
148
664
680
10.1098/rspa.1935.0040
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lipson, H; Beevers, C A The crystal structure of the alums Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 148 (1934) 664-680
301,772
2025-08-18
12:31:57
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011209.cif $ #-------------------------------------------------------------------...
1,011,210
5.302
null
5.366
null
3.777
null
90
null
90
null
90
null
107.5
null
null
null
null
null
null
null
null
null
from Zermatt, Swiss Alps
3
C m m m
-C 2 2
65
Calcium titanate
Perovskite
- Ca O3 Ti -
- Ca O3 Ti -
- Ca2 O6 Ti2 -
2
0.125
Barth, T
Die Kristallstruktur von Perowskit und verwandter Verbindungen
Norsk Geologisk Tidsskrift
1,925
8
201
216
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Barth, T Die Kristallstruktur von Perowskit und verwandter Verbindungen Norsk Geologisk Tidsskrift 8 (1925) 201-216
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011210.cif $ #-------------------------------------------------------------------...
1,011,211
3.795
null
3.795
null
3.795
null
90
null
90
null
90
null
54.7
null
null
null
null
null
null
null
null
null
from Zermatt, Swiss Alps
3
P m -3 m
-P 4 2 3
221
Calcium titanate
Perovskite
- Ca O3 Ti -
- Ca O3 Ti -
- Ca O3 Ti -
1
0.020833
Barth, T
Die Kristallstruktur von Perowskit und verwandter Verbindungen
Norsk Geologisk Tidsskrift
1,925
8
201
216
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Barth, T Die Kristallstruktur von Perowskit und verwandter Verbindungen Norsk Geologisk Tidsskrift 8 (1925) 201-216
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011211.cif $ #-------------------------------------------------------------------...
1,011,212
3.825
null
3.825
null
3.825
null
90
null
90
null
90
null
56
null
null
null
null
null
null
null
null
null
from Magnet Cove, Arkansas
5
P m -3 m
-P 4 2 3
221
Calcium sodium titanium niobium oxide *
Perovskite niobian
- Ca0.7 Na0.3 Nb0.3 O3 Ti0.7 -
- Ca0.7 Na0.3 Nb0.3 O3 Ti0.7 -
- Ca0.7 Na0.3 Nb0.3 O3 Ti0.7 -
1
0.020833
Barth, T
Die Kristallstruktur von Perowskit und verwandter Verbindungen
Norsk Geologisk Tidsskrift
1,925
8
201
216
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Barth, T Die Kristallstruktur von Perowskit und verwandter Verbindungen Norsk Geologisk Tidsskrift 8 (1925) 201-216
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011212.cif $ #-------------------------------------------------------------------...
1,011,213
6.88
null
6.88
null
6.88
null
103.42
null
103.42
null
103.42
null
293.7
null
null
null
null
null
null
null
null
null
from Jachymov, Bohemia
3
R 3 c :R
P 3* -2n
161
Silver trithioarsenate(III)
Proustite
- Ag3 As S3 -
- Ag3 As S3 -
- Ag6 As2 S6 -
2
0.333333
Hocart, R
Schema structural de la proustite et de la pyrargyrite.
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,937
205
68
70
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hocart, R Schema structural de la proustite et de la pyrargyrite. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 205 (1937) 68-70
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011213.cif $ #-------------------------------------------------------------------...
1,011,214
7
null
7
null
7
null
103.97
null
103.97
null
103.97
null
306.2
null
null
null
null
null
null
null
null
null
from Freiberg, Saxony
3
R 3 c :R
P 3* -2n
161
Silver trithioantimonate(III)
Pyrargyrite
- Ag3 S3 Sb -
- Ag3 S3 Sb -
- Ag6 S6 Sb2 -
2
0.333333
Hocart, R
Schema structural de la proustite et de la pyrargyrite.
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,937
205
68
70
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hocart, R Schema structural de la proustite et de la pyrargyrite. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 205 (1937) 68-70
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011214.cif $ #-------------------------------------------------------------------...
1,011,215
5.42
0.03
5.42
0.03
11.3
0.3
90
null
90
null
90
null
332
null
null
null
null
null
null
null
null
null
from Dinas Castle tungsten mine, Cornwall and synthetic
3
I 41/a m d :1
I 4bw 2bw -1bw
141
Bismuth tungsten oxide *
Russellite
- Bi4.5 O16 W1.6 -
- Bi4.5 O16 W1.6 -
- Bi4.5 O16 W1.6 -
1
0.03125
Hey, M H; Bannister, F A
Russellite, a new British mineral
Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)
1,938
25
41
55
10.1180/minmag.1938.25.161.01
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hey, M H; Bannister, F A Russellite, a new British mineral Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968) 25 (1938) 41-55
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011215.cif $ #-------------------------------------------------------------------...
7,015,184
5.004
0.0003
15.4165
0.0008
15.0856
0.0005
90
null
90.843
0.003
90
null
1,163.64
0.1
200
2
200
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C12 H9 Br N2 Se -
- C12 H9 Br N2 Se -
- C48 H36 Br4 N8 Se4 -
4
1
Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Butcher, Ray J.
Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4489
4496
10.1039/c0dt01319f
0.71073
MoKα
0.082
0.0327
null
null
0.0526
0.0571
null
null
null
null
null
0.84
null
null
has coordinates
Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Butcher, Ray J. Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4489-4496
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015184.cif $ #-------------------------------------------------------------------...
1,011,216
4.793
null
4.793
null
4.417
null
90
null
90
null
120
null
87.9
null
null
null
null
null
null
null
null
null
synthetic
2
P 3 1 2
P 3 2
149
Iron nitride (2/1)
Siderazot
- Fe2 N -
- Fe2 N -
- Fe6 N3 -
3
0.5
Hendricks, S. B.; Kosting, P. R.
The crystal structure of Fe2P, Fe2N, Fe3N and FeB Locality: synthetic Note: forms solid solution with siderazot
Zeitschrift fur Kristallographie
1,930
74
511
533
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hendricks, S. B.; Kosting, P. R. The crystal structure of Fe2P, Fe2N, Fe3N and FeB Locality: synthetic Note: forms solid solution with siderazot Zeitschrift fur Kristallographie 74 (1930) 511-533
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011216.cif $ #-------------------------------------------------------------------...
1,011,217
4.668
null
4.668
null
4.362
null
90
null
90
null
120
null
82.3
null
null
null
null
null
null
null
null
null
synthetic
2
P 3 1 2
P 3 2
149
Iron nitride (3/1)
Siderazot
- Fe3 N -
- Fe3 N -
- Fe6 N2 -
2
0.333333
Hendricks, S B; Kosting, P R
The crystal structure of Fe2 P, Fe2 N, Fe3 N and Fe B.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,930
74
511
533
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hendricks, S B; Kosting, P R The crystal structure of Fe2 P, Fe2 N, Fe3 N and Fe B. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 74 (1930) 511-533
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011217.cif $ #-------------------------------------------------------------------...
1,011,218
11.14
null
11.14
null
11.14
null
90
null
90
null
90
null
1,382.5
null
null
null
null
null
null
null
null
null
from Mont Hamimat, Algeria
2
F d -3 m :1
F 4d 2 3 -1d
227
Tetraantimony oxide
Senarmontite
- O6 Sb4 -
- O6 Sb4 -
- O48 Sb32 -
8
0.041667
Bozorth, R M
The crystal structures of the cubic forms of arsenious and antimonous oxides
Journal of the American Chemical Society
1,923
45
1621
1627
10.1021/ja01660a006
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bozorth, R M The crystal structures of the cubic forms of arsenious and antimonous oxides Journal of the American Chemical Society 45 (1923) 1621-1627
282,053
2023-03-24
19:00:08
#------------------------------------------------------------------------------ #$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $ #$Revision: 282053 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011218.cif $ #-------------------------------------------------------------------...
1,011,219
5.37
0.005
5.37
0.005
5.37
0.005
90
null
90
null
90
null
154.9
null
null
null
null
null
null
null
null
null
from Mercur, Utah
3
P -4 3 m
P -4 2 3
215
Copper(I) tetrathiovanadate
Sulvanite
- Cu3 S4 V -
- Cu3 S4 V -
- Cu3 S4 V -
1
0.041667
Pauling, L; Hultgren, R
The crystal structure of sulvanite Cu3 V S4
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,932
84
204
212
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pauling, L; Hultgren, R The crystal structure of sulvanite Cu3 V S4 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 84 (1932) 204-212
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011219.cif $ #-------------------------------------------------------------------...
1,011,220
6.55
0.01
8.7
0.01
7.43
0.01
90
null
119.72
null
90
null
367.7
null
null
null
null
null
null
null
null
null
from Lindvikskollen, Krageroe, Norway
4
C 1 2/c 1 S
15
Calcium titanium silicate oxide
Titanite
- Ca O5 Si Ti -
- Ca O5 Si Ti -
- Ca4 O20 Si4 Ti4 -
4
null
Zachariasen, W H
The crystal structure of titanite
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,930
73
7
16
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zachariasen, W H The crystal structure of titanite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 73 (1930) 7-16
77,586
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $ #$Revision: 77586 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011220.cif $ #--------------------------------------------------------------------...
1,011,221
15.63
null
15.63
null
11.83
null
90
null
90
null
90
null
2,890
null
null
null
null
null
null
null
null
null
from Franklin, New Jersey and Sanford, Maine
7
P 4/n n c Z1
126
Decacalcium magnesium iron tetraaluminium pentakis(silicate) bis(disilicate) tetrahydroxide
Vesuvianite
- Al4 Ca10 Fe H4 Mg O38 Si9 -
- Al4 Ca10 Fe H6 Mg O38 Si9 -
- Al16 Ca40 Fe4 H24 Mg4 O152 Si36 -
4
null
Warren, B E; Modell, D I
The structure of vesuvianite Ca10 Al4 (Mg Fe)2 Si9 O34 (O H)4
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,931
78
422
432
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Warren, B E; Modell, D I The structure of vesuvianite Ca10 Al4 (Mg Fe)2 Si9 O34 (O H)4 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 78 (1931) 422-432
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011221.cif $ #-------------------------------------------------------------------...
7,015,183
14.381
0.002
13.755
0.002
20.62
0.003
90
null
98.291
0.003
90
null
4,036.2
1
100
2
100
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
work
- C35 H30 Cl2 F6 N6 O6 S6 -
- C35 H30 Cl2 F6 N6 O6 S6 -
- C140 H120 Cl8 F24 N24 O24 S24 -
4
1
Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C.
Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity.
Dalton transactions (Cambridge, England : 2003)
2,011
40
7
1471
1483
10.1039/c0dt01312a
0.71073
MoKα
0.126
0.0763
null
null
0.1656
0.1917
null
null
null
null
null
1.046
null
null
has coordinates
Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C. Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity. Dalton transactions (Cambridge, England : 2003) ...
301,847
2025-08-21
11:39:33
#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015183.cif $ #-------------------------------------------------------------------...
1,011,222
9.77
null
17.79999
null
5.26
null
90
null
73.97
null
90
null
879.2
null
null
null
null
null
null
null
null
null
from New York localities
5
I 1 2/m 1
-I 2y
12
Dicalcium pentamagnesium catena-octasilicate dihydroxide
Tremolite
- Ca2 H2 Mg5 O24 Si8 -
- Ca2 H3 Mg5 O24 Si8 -
- Ca4 H6 Mg10 O48 Si16 -
2
0.25
Warren, B E
The structure of tremolite H2 Ca2 Mg5 (Si O3)8
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,929
72
42
57
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Warren, B E The structure of tremolite H2 Ca2 Mg5 (Si O3)8 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 72 (1929) 42-57
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011222.cif $ #-------------------------------------------------------------------...
1,011,223
5.16
null
8.53
null
4.92
null
90
null
90
null
90
null
216.6
null
null
null
null
null
null
null
null
null
synthetic by precipitation
3
P 21 21 21
P 2ac 2ab
19
Zinc hydroxide
Wuelfingite
- H2 O2 Zn -
- H2 O2 Zn -
- H8 O8 Zn4 -
4
1
Corey, R B; Wyckoff, R W G
The crystal structure of zinc hydroxide
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,933
86
8
18
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Corey, R B; Wyckoff, R W G The crystal structure of zinc hydroxide Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 86 (1933) 8-18
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011223.cif $ #-------------------------------------------------------------------...
1,011,224
8.45
null
12.9
null
7.15
null
90
null
116.1
null
90
null
699.9
null
null
null
null
null
null
null
null
null
from Mount Vesuvius,Italy
4
C 1 2/m 1
-C 2y
12
Potassium tecto-alumotrisilicate *
Sanidine
- Al K O8 Si3 -
- Al K O8 Si3 -
- Al4 K4 O32 Si12 -
4
0.5
Taylor, W H
The structure of sanidine and other feldspars 2.56
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,933
85
425
442
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Taylor, W H The structure of sanidine and other feldspars 2.56 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 85 (1933) 425-442
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011224.cif $ #-------------------------------------------------------------------...
1,011,225
11.48
0.01
4.36
0.05
3.555
0.005
90
null
90
null
90
null
177.9
null
null
null
null
null
null
null
null
null
synthetic from melt
2
P m n 21
P 2ac -2
31
Vanadium oxide
Shcherbianite
- O5 V2 -
- O5 V2 -
- O10 V4 -
2
0.5
Ketelaar, J A A
Kristalstructuur en colloidchemische Eigenschappen van Vanadiumpentoxyd
Chemisch Weekblad
1,936
33
51
57
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ketelaar, J A A Kristalstructuur en colloidchemische Eigenschappen van Vanadiumpentoxyd Chemisch Weekblad 33 (1936) 51-57
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011225.cif $ #-------------------------------------------------------------------...
1,011,226
7.684
null
7.684
null
7.684
null
108.02
null
108.02
null
108.02
null
366.8
null
null
null
null
null
null
null
null
null
3
R -3 :R
-P 3*
148
Diberyllium silicate
Phenakite
- Be2 O4 Si -
- Be0.333333 O4 Si -
- Be2 O24 Si6 -
6
1
Bragg, L W
The structure of phenacite Be2 Si O4
Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)
1,927
113
642
657
10.1098/rspa.1927.0013
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bragg, L W The structure of phenacite Be2 Si O4 Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 113 (1927) 642-657
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011226.cif $ #-------------------------------------------------------------------...
1,011,227
15.33
null
7.28
null
7.07
null
90
null
95.41
null
90
null
785.5
null
null
null
null
null
null
null
null
null
from Cziklova, Banat
3
P 1 21/a 1
-P 2yab
14
Calcium catena-trisilicate
Wollastonite 2M
- Ca3 O9 Si3 -
- Ca3 O9 Si3 -
- Ca12 O36 Si12 -
4
1
Barnick, M
Strukturuntersuchungen des natuerlichen Wollastonits
Diss. Univ. Berlin
1,936
1,936
1
43
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Barnick, M Strukturuntersuchungen des natuerlichen Wollastonits Diss. Univ. Berlin 1936 (1936) 1-43
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011227.cif $ #-------------------------------------------------------------------...
1,011,228
5.84
null
5.84
null
5.84
null
47.77
null
47.77
null
47.77
null
100
null
null
null
null
null
null
null
null
null
from Lake Co., Colorado
3
R -3 c RS
167
Manganese carbonate
Rhodochrosite
- C Mn O3 -
- C Mn O3 -
- C2 Mn2 O6 -
2
null
Wyckoff, R. W. G.
The crystal structures of some carbonates of the calcite group
American Journal of Science
1,920
50
317
360
10.2475/ajs.s4-50.299.317
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Wyckoff, R. W. G. The crystal structures of some carbonates of the calcite group American Journal of Science 50 (1920) 317-360
208,881
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-07-06 22:17:43 +0300 (Fri, 06 Jul 2018) $ #$Revision: 208881 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011228.cif $ #-------------------------------------------------------------------...
1,011,229
5.42
null
5.42
null
8.8
null
90
null
90
null
120
null
223.9
null
null
null
null
null
null
null
null
null
from Langban, Sweden
4
P 63 m c
P 6c -2c
186
Sodium tetraberyllium catena-antimonate tetraoxide
Swedenborgite
- Be4 Na O7 Sb -
- Be0.6667 Na O7 Sb -
- Be1.3334 Na2 O14 Sb2 -
2
0.166667
Aminoff, G
On the structure and chemical composition of Swedenborgite
Kunglia Svenska Vetenskaps Akademiens Handlingar
1,933
11
1
13
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Aminoff, G On the structure and chemical composition of Swedenborgite Kunglia Svenska Vetenskaps Akademiens Handlingar 11 (1933) 1-13
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011229.cif $ #-------------------------------------------------------------------...
1,011,230
4.76
null
9.68
null
5.819
null
90
null
90
null
90
null
268.1
null
null
null
null
null
null
null
null
null
from Varutrask, Sweden
4
P b n m
-P 2c 2ab
62
Manganese(III) iron(III) phosphate(V) (0.65/0.35/1)
Purpurite
- Fe0.35 Mn0.65 O4 P -
- Fe0.35 Mn0.65 O4 P -
- Fe1.4 Mn2.6 O16 P4 -
4
0.5
Bjoerling, C O; Westgren, A
Minerals of the Varutrask pegmatite. IX. X-ray studies on triphylite, varulite, and their oxidation products
Geologiska Foereningens i Stockholm Foerhandlingar
1,938
60
67
72
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bjoerling, C O; Westgren, A Minerals of the Varutrask pegmatite. IX. X-ray studies on triphylite, varulite, and their oxidation products Geologiska Foereningens i Stockholm Foerhandlingar 60 (1938) 67-72
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011230.cif $ #-------------------------------------------------------------------...
7,015,182
9.1086
0.0014
10.9681
0.0016
12.2928
0.0018
86.931
0.002
85.686
0.002
82.015
0.002
1,211.6
0.3
100
2
100
2
null
null
null
null
6
P -1
-P 1
2
work
- C41 H64 Au2 Cl2 N12 O6 -
- C41 H64 Au2 Cl2 N12 O6 -
- C41 H64 Au2 Cl2 N12 O6 -
1
0.5
Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C.
Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity.
Dalton transactions (Cambridge, England : 2003)
2,011
40
7
1471
1483
10.1039/c0dt01312a
0.71073
MoKα
0.0274
0.0265
null
null
0.0646
0.0652
null
null
null
null
null
1.114
null
null
has coordinates,has disorder
Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C. Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity. Dalton transactions (Cambridge, England : 2003) ...
301,847
2025-08-21
11:39:33
#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015182.cif $ #-------------------------------------------------------------------...
1,011,231
8.17
null
8.17
null
8.17
null
90
null
90
null
90
null
545.3
null
null
null
null
null
null
null
null
null
Skutterud, Norway
2
I m -3
-I 2 2 3
204
Cobalt arsenide (1/3)
Skutterudite
- As3 Co -
- As3 Co -
- As24 Co8 -
8
0.166667
Oftedal, I
The crystal structure of skutterudite and related minerals
Norsk Geologisk Tidsskrift
1,926
8
250
257
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Oftedal, I The crystal structure of skutterudite and related minerals Norsk Geologisk Tidsskrift 8 (1926) 250-257
282,068
2023-03-26
10:11:44
#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011231.cif $ #-------------------------------------------------------------------...
1,011,232
5.415
0.005
5.415
null
5.415
null
90
null
90
null
90
null
158.8
null
null
null
null
null
null
null
null
null
rich) - from St. Barbara, California
3
F -4 3 m
F -4 2 3
216
Zinc iron sulfide (.7/.3/1)
Sphalerite (F
- Fe0.27 S Zn0.73 -
- Fe0.27 S Zn0.73 -
- Fe1.08 S4 Zn2.92 -
4
0.041667
de Jong, W F
Marmatit und christophit
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,927
66
515
515
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
de Jong, W F Marmatit und christophit Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 66 (1927) 515-515
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011232.cif $ #-------------------------------------------------------------------...
1,011,233
5.431
0.005
5.431
null
5.431
null
90
null
90
null
90
null
160.2
null
null
null
null
null
null
null
null
null
rich) - from Breitenbrunn, Saxony
3
F -4 3 m
F -4 2 3
216
Zinc iron sulfide (.7/.3/1)
Sphalerite (F
- Fe0.34 S Zn0.66 -
- Fe0.34 S Zn0.66 -
- Fe1.36 S4 Zn2.64 -
4
0.041667
de Jong, W F
Marmatit und christophit
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,927
66
515
515
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
de Jong, W F Marmatit und christophit Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 66 (1927) 515-515
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011233.cif $ #-------------------------------------------------------------------...
1,011,234
5.724
0.005
5.724
null
5.724
null
90
null
90
null
90
null
187.5
null
null
null
null
null
null
null
null
null
from Carinthia, Austria
4
P 21 3
P 2ac 2ab 3
198
Nickel arsenic antimony sulfide (1/0.1/0.9/1)
Ullmannite (As)
- As0.1 Ni S Sb0.9 -
- As0.1 Ni S Sb0.9 -
- As0.4 Ni4 S4 Sb3.6 -
4
0.333333
Peacock, M A; Berry, L G
Roentgenographic observations on ore minerals
University of Toronto Studies, Geological Series
1,940
44
47
69
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Peacock, M A; Berry, L G Roentgenographic observations on ore minerals University of Toronto Studies, Geological Series 44 (1940) 47-69
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011234.cif $ #-------------------------------------------------------------------...
1,011,235
4.706
null
4.706
null
7.96
null
90
null
90
null
120
null
152.7
null
null
null
null
null
null
null
null
null
4
P 3 2 1
P 3 2"
150
Potassium aluminium sulfate(VI)
Steklite
- Al K O8 S2 -
- Al K O8 S2 -
- Al K O8 S2 -
1
0.166667
Vegard, L; Maurstad, A
Die Kristallstruktur der wasserfreien Alaune R'R''' (S O4)2
Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse
1,928
1,928
1
24
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Vegard, L; Maurstad, A Die Kristallstruktur der wasserfreien Alaune R'R''' (S O4)2 Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse 1928 (1928) 1-24
303,120
2025-10-31
16:25:08
#------------------------------------------------------------------------------ #$Date: 2025-10-31 18:24:25 +0200 (Fri, 31 Oct 2025) $ #$Revision: 303120 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011235.cif $ #-------------------------------------------------------------------...
1,011,236
5.686
0.005
5.686
0.005
5.686
0.005
90
null
90
null
90
null
183.8
null
null
null
null
null
null
null
null
null
synthetic
2
F m -3 m
-F 4 2 3
225
Calcium sulfide
Oldhamite
- Ca S -
- Ca S -
- Ca4 S4 -
4
0.020833
Oftedal, I
Die Gitterkonstanten von Ca O, Ca S, Ca Se, Ca Te.
Zeitschrift fuer Physikalische Chemie (Leipzig)
1,927
128
135
158
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Oftedal, I Die Gitterkonstanten von Ca O, Ca S, Ca Se, Ca Te. Zeitschrift fuer Physikalische Chemie (Leipzig) 128 (1927) 135-158
301,772
2025-08-18
12:31:57
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011236.cif $ #-------------------------------------------------------------------...
1,011,237
6.109
0.005
6.109
null
6.109
null
90
null
90
null
90
null
228
null
null
null
null
null
null
null
null
null
synthetic
2
P a -3
-P 2ac 2ab 3
205
Manganese perdisulfide
Hauerite
- Mn S2 -
- Mn S2 -
- Mn4 S8 -
4
0.166667
Offner, F
A redetermination of the parameter for Hauerite, Mn S2
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,934
89
182
184
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Offner, F A redetermination of the parameter for Hauerite, Mn S2 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 89 (1934) 182-184
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011237.cif $ #-------------------------------------------------------------------...
1,011,238
18.2
null
8.86
null
5.2
null
90
null
90
null
90
null
838.5
null
null
null
null
null
null
null
null
null
from Mt. Dore, Auvergne, France
4
P b c a
-P 2ac 2ab
61
Magnesium iron(II) silicate *
Hypersthene
- Fe0.3 Mg0.7 O3 Si -
- Fe0.3 Mg0.7 O3 Si -
- Fe4.8 Mg11.2 O48 Si16 -
16
2
Warren, B E; Modell, D I
The Structure of Enstatite, Mg Si O3
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,930
75
1
14
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Warren, B E; Modell, D I The Structure of Enstatite, Mg Si O3 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 75 (1930) 1-14
282,068
2023-03-26
10:11:44
#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011238.cif $ #-------------------------------------------------------------------...
7,015,181
35.318
0.005
35.318
0.005
11.178
0.002
90
null
90
null
120
null
12,075
3
100
2
100
2
null
null
null
null
8
R -3 :H
-R 3
148
work
- C72 H71 Au3 F9 N6 O10 P3 S6 -
- C72 H70.998 Au3 F9 N6 O10 P3 S6 -
- C432 H425.988 Au18 F54 N36 O60 P18 S36 -
6
0.333333
Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C.
Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity.
Dalton transactions (Cambridge, England : 2003)
2,011
40
7
1471
1483
10.1039/c0dt01312a
0.71073
MoKα
0.0515
0.0343
null
null
0.0713
0.0768
null
null
null
null
null
1.032
null
null
has coordinates,has disorder
Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C. Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity. Dalton transactions (Cambridge, England : 2003) ...
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015181.cif $ #-------------------------------------------------------------------...
1,011,239
6.1
null
6.1
null
6.1
null
90
null
90
null
90
null
227
null
null
null
null
null
null
null
null
null
synthetic
2
F -4 3 m
F -4 2 3
216
Copper(I) iodide
Marshite
- Cu I -
- Cu I -
- Cu4 I4 -
4
0.041667
Wyckoff, R W G; Posnjak, E
The crystal structures of the cuprous halides
Journal of the American Chemical Society
1,922
44
30
36
10.1021/ja01422a005
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Wyckoff, R W G; Posnjak, E The crystal structures of the cuprous halides Journal of the American Chemical Society 44 (1922) 30-36
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011239.cif $ #-------------------------------------------------------------------...
1,011,240
5.43
null
5.43
null
5.43
null
55.28
null
55.28
null
55.28
null
100.8
null
null
null
null
null
null
null
null
null
2
R -3 c :R
-P 3* 2n
167
Iron(III) oxide
Hematite
- Fe2 O3 -
- Fe2 O3 -
- Fe4 O6 -
2
0.166667
Pauling, L; Hendricks, S B
The Structure of Hematite
Journal of the American Chemical Society
1,925
47
781
790
10.1021/ja01680a027
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pauling, L; Hendricks, S B The Structure of Hematite Journal of the American Chemical Society 47 (1925) 781-790
303,120
2025-10-31
16:25:08
#------------------------------------------------------------------------------ #$Date: 2025-10-31 18:24:25 +0200 (Fri, 31 Oct 2025) $ #$Revision: 303120 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/12/1011240.cif $ #-------------------------------------------------------------------...