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
optimal
int64
status
string
flags
string
text
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svnrevision
int64
date
string
time
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onhold
string
cif_text
string
7,151,731
39.705
0.002
5.8312
0.0003
20.2162
0.0014
90
null
91.296
0.002
90
null
4,679.4
0.5
100
2
100
2
null
null
null
null
5
C 1 2 1
C 2y
5
(1S,2S,3S,4S)-1-(2?,2?,2?-trichloromethylcarbonylamino)-2,3,4- trihydroxycyclohexane ?
- C8 H12 Cl3 N O4 -
- C8 H12 Cl3 N O4 -
- C128 H192 Cl48 N16 O64 -
16
4
Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew
Stereoselective synthesis of polyhydroxylated aminocyclohexanes.
Organic & biomolecular chemistry
2,011
9
8
2801
2808
10.1039/c0ob00619j
0.71073
MoKα
0.1714
0.0752
null
null
null
0.1434
null
null
null
null
null
1.059
null
null
has coordinates,has disorder
Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew Stereoselective synthesis of polyhydroxylated aminocyclohexanes. Organic & biomolecular chemistry 9(8) (2011) 2801-2808
301,861
2025-08-22
11:11:50
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151731.cif $ #-------------------------------------------------------------------...
1,001,730
6.4023
0.0006
7.6097
0.001
12.7395
0.0014
80.031
0.011
79.039
0.009
83.517
0.011
598.1
null
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
Sodium dimolybdo(V)molybdotriphosphate(V)
- Mo3 Na O16 P3 -
- Mo3 Na O16 P3 -
- Mo6 Na2 O32 P6 -
2
1
Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B
A molybdenophosphate with a mixed valence of molybdenum, Mo(VI) - Mo(V): Na Mo3 P3 O16
Journal of Solid State Chemistry
1,991
95
168
175
10.1016/0022-4596(91)90386-V
null
0.032
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B A molybdenophosphate with a mixed valence of molybdenum, Mo(VI) - Mo(V): Na Mo3 P3 O16 Journal of Solid State Chemistry 95 (1991) 168-175
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/1/00/17/1001730.cif $ #-------------------------------------------------------------------...
1,001,731
8.6233
0.0006
8.6233
0.0006
5.6384
0.0007
90
null
90
null
90
null
419.3
null
null
null
null
null
null
null
null
null
5
P 4 b m
P 4 -2ab
100
Diammonium oxovanadium(IV) vanadophosphate(V)
- H8 N2 O8 P V2 -
- H10 N2 O8 P1.02 V1.98 -
- H20 N4 O16 P2.04 V3.96 -
2
0.25
Boudin, S; Grandin, A; Labbe, P; Raveau, B
(N H4)2 (V O) (V P) O7, a layered structure comprising tetrahedral VP O7 groups
Acta Crystallographica C (39,1983-)
1,996
52
2668
2670
null
0.046
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Boudin, S; Grandin, A; Labbe, P; Raveau, B (N H4)2 (V O) (V P) O7, a layered structure comprising tetrahedral VP O7 groups Acta Crystallographica C (39,1983-) 52 (1996) 2668-2670
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/1/00/17/1001731.cif $ #-------------------------------------------------------------------...
1,001,732
10.6265
0.0008
10.6265
0.0008
6.4092
0.0009
90
null
90
null
90
null
723.7
null
null
null
null
null
null
null
null
null
5
P -4 m 2
P -4 -2
115
Potassium niobium tungsten phosphorus phosphate(V) oxide (3.73/8.41/0.12/0.47/4/18)
- K3.73 Nb8.41 O34 P4.47 W0.12 -
- K3.73 Nb8.406 O34 P4.47 W0.124 -
- K3.73 Nb8.406 O34 P4.47 W0.124 -
1
0.125
Leclaire, A; Borel, M-M; Mezaoui, D; Rebbah, H; Raveau, B
Introduction of tungsten in the niobium phosphate bronzes: the monophosphate K3.75 Nb8-x Wx O14 (P O4)4 (P0.5 Nb0.5 O4)
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)
1,996
323
679
685
null
0.029
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Borel, M-M; Mezaoui, D; Rebbah, H; Raveau, B Introduction of tungsten in the niobium phosphate bronzes: the monophosphate K3.75 Nb8-x Wx O14 (P O4)4 (P0.5 Nb0.5 O4) Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-) 323 (1996) 679-685
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/1/00/17/1001732.cif $ #-------------------------------------------------------------------...
7,151,730
8.0678
0.0001
16.6957
0.0002
9.6537
0.0001
90
null
99.437
0.001
90
null
1,282.73
0.03
100
2
100
2
null
null
null
null
6
P 1 21 1
P 2yb
4
1,2-syn-2,3-anti-iodoalcohol
(1S,2S,3S)-1-(2',2',2'-trichloromethylcarbonylamino)-2-hydroxy-3-iodocyclohexane
- C8 H11 Cl3 I N O2 -
- C8 H11 Cl3 I N O2 -
- C32 H44 Cl12 I4 N4 O8 -
4
2
Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew
Stereoselective synthesis of polyhydroxylated aminocyclohexanes.
Organic & biomolecular chemistry
2,011
9
8
2801
2808
10.1039/c0ob00619j
0.71073
MoKα
0.0449
0.0313
null
null
null
0.0585
null
null
null
null
null
0.977
null
null
has coordinates
Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew Stereoselective synthesis of polyhydroxylated aminocyclohexanes. Organic & biomolecular chemistry 9(8) (2011) 2801-2808
301,861
2025-08-22
11:11:50
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151730.cif $ #-------------------------------------------------------------------...
1,001,733
17.545
0.002
17.545
0.002
15.714
0.002
90
null
90
null
120
null
4,189.1
null
null
null
null
null
null
null
null
null
5
R -3 :H
-R 3
148
Potassium molybdenum tungsten oxide phosphate(V) (6.6/2.3/3.7/15/4)
- K6.595 Mo2.34 O31 P4 W3.66 -
- K6.595 Mo2.34 O31 P4 W3.66 -
- K39.57 Mo14.04 O186 P24 W21.96 -
6
0.333333
Leclaire, A; Borel, M M; Chardon, J; Raveau, B
A molybdenotungsten monophosphate with an opened structure K6.6 Mo2.36 W3.64 O15 (P O4)4
Journal of Solid State Chemistry
1,996
127
1
8
10.1006/jssc.1996.0349
null
0.051
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Borel, M M; Chardon, J; Raveau, B A molybdenotungsten monophosphate with an opened structure K6.6 Mo2.36 W3.64 O15 (P O4)4 Journal of Solid State Chemistry 127 (1996) 1-8
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/1/00/17/1001733.cif $ #-------------------------------------------------------------------...
1,001,734
5.4599
0.0001
7.711
0.0001
5.466
0.0001
90
null
90
null
90
null
230.1
null
null
null
null
null
null
null
null
null
4
P n m a
-P 2ac 2n
62
Neodymium strontium manganese oxide (0.7/0.3/1/3)
- Mn Nd0.7 O3 Sr0.3 -
- Mn Nd0.7 O3 Sr0.3 -
- Mn4 Nd2.8 O12 Sr1.2 -
4
0.5
Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B
Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering
Journal of Solid State Chemistry
1,996
127
131
135
10.1006/jssc.1996.0368
null
0.041
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering Journal of Solid State Chemistry 127 (1996) 131-135
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/1/00/17/1001734.cif $ #-------------------------------------------------------------------...
1,001,735
5.4708
0.0001
7.6708
0.0001
5.4254
0.0001
90
null
90
null
90
null
227.7
null
null
null
null
null
null
null
null
null
5
P n m a
-P 2ac 2n
62
Neodymium strontium calcium manganese oxide (0.7/0.1/0.2/1/3)
- Ca0.22 Mn Nd0.7 O3 Sr0.08 -
- Ca0.22 Mn Nd0.7 O3 Sr0.08 -
- Ca0.88 Mn4 Nd2.8 O12 Sr0.32 -
4
0.5
Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B
Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering
Journal of Solid State Chemistry
1,996
127
131
135
10.1006/jssc.1996.0368
null
0.043
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering Journal of Solid State Chemistry 127 (1996) 131-135
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/1/00/17/1001735.cif $ #-------------------------------------------------------------------...
1,001,736
5.482
0.0001
7.6475
0.0001
5.4096
0.0001
90
null
90
null
90
null
226.8
null
null
null
null
null
null
null
null
null
4
P n m a
-P 2ac 2n
62
Neodymium calcium manganese oxide (0.7/0.3/1/3)
- Ca0.3 Mn Nd0.7 O3 -
- Ca0.3 Mn Nd0.7 O3 -
- Ca1.2 Mn4 Nd2.8 O12 -
4
0.5
Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B
Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering
Journal of Solid State Chemistry
1,996
127
131
135
10.1006/jssc.1996.0368
null
0.04
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering Journal of Solid State Chemistry 127 (1996) 131-135
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/1/00/17/1001736.cif $ #-------------------------------------------------------------------...
7,151,729
7.5239
0.0004
13.8384
0.0008
22.5279
0.0014
90
null
90
null
90
null
2,345.6
0.2
200
2
200
2
null
null
null
null
3
P b c a
-P 2ac 2ab
61
- C32 H18 N4 -
- C32 H18 N4 -
- C128 H72 N16 -
4
0.5
Lin, Yi-Chun; Lin, Chih-Hsiu; Chen, Chan-Yu; Sun, Shih-Sheng; Pal, Bikash
Synthesis of electron deficient acene derivatives via a bidirectional iterative elongation reaction
Organic & Biomolecular Chemistry
2,011
9
12
4507
10.1039/c0ob00575d
0.71073
MoKα
0.1515
0.049
null
null
0.1062
0.1486
null
null
null
null
null
0.91
null
null
has coordinates
Lin, Yi-Chun; Lin, Chih-Hsiu; Chen, Chan-Yu; Sun, Shih-Sheng; Pal, Bikash Synthesis of electron deficient acene derivatives via a bidirectional iterative elongation reaction Organic & Biomolecular Chemistry 9(12) (2011) 4507
301,861
2025-08-22
11:11:50
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151729.cif $ #-------------------------------------------------------------------...
1,001,737
5.4494
0.0001
7.6964
0.0001
5.4547
0.0001
90
null
90
null
90
null
228.8
null
null
null
null
null
null
null
null
null
4
P n m a
-P 2ac 2n
62
Neodymium strontium manganese oxide (0.7/0.3/1/3)
- Mn Nd0.7 O3 Sr0.3 -
- Mn Nd0.7 O3 Sr0.3 -
- Mn4 Nd2.8 O12 Sr1.2 -
4
0.5
Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B
Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering
Journal of Solid State Chemistry
1,996
127
131
135
10.1006/jssc.1996.0368
null
0.048
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering Journal of Solid State Chemistry 127 (1996) 131-135
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/1/00/17/1001737.cif $ #-------------------------------------------------------------------...
1,001,738
5.4734
0.0001
7.6583
0.0001
5.4139
0.0001
90
null
90
null
90
null
226.9
null
null
null
null
null
null
null
null
null
5
P n m a
-P 2ac 2n
62
Neodymium strontium calcium manganese oxide (0.7/0.1/0.2/1/3)
- Ca0.22 Mn Nd0.7 O3 Sr0.08 -
- Ca0.22 Mn Nd0.7 O3 Sr0.08 -
- Ca0.88 Mn4 Nd2.8 O12 Sr0.32 -
4
0.5
Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B
Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering
Journal of Solid State Chemistry
1,996
127
131
135
10.1006/jssc.1996.0368
null
0.049
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering Journal of Solid State Chemistry 127 (1996) 131-135
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/1/00/17/1001738.cif $ #-------------------------------------------------------------------...
1,001,739
5.4881
0.0001
7.6337
0.0001
5.3968
0.0001
90
null
90.2
null
90
null
226.1
null
null
null
null
null
null
null
null
null
4
P 1 21/m 1
-P 2yb
11
Neodymium calcium manganese oxide (0.7/0.3/1/3)
- Ca0.3 Mn Nd0.7 O3 -
- Ca0.3 Mn Nd0.7 O3 -
- Ca1.2 Mn4 Nd2.8 O12 -
4
1
Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B
Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering
Journal of Solid State Chemistry
1,996
127
131
135
10.1006/jssc.1996.0368
null
0.047
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering Journal of Solid State Chemistry 127 (1996) 131-135
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/1/00/17/1001739.cif $ #-------------------------------------------------------------------...
1,001,740
3.8174
0.0002
3.8138
0.0002
30.33899
0.001
90
null
90
null
90
null
441.7
null
null
null
null
null
null
null
null
null
5
I m m m
-I 2 2
71
Mercury praseodymium strontium iron oxide (0.3/0.57/4/2/9)
- Fe2 Hg0.3 O9 Pr0.57 Sr4 -
- Fe2 Hg0.3 O9 Pr0.57 Sr4 -
- Fe4 Hg0.6 O18 Pr1.14 Sr8 -
2
0.125
Boullay, Ph; Domenges, B; Groult, D; Raveau, B
A mercury-based ferrite with a 0201-1201 structure: (Hg, Pr) Sr4 Fe2 O9
Journal of Solid State Chemistry
1,996
124
1
7
10.1006/jssc.1996.0199
null
0.059
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Boullay, Ph; Domenges, B; Groult, D; Raveau, B A mercury-based ferrite with a 0201-1201 structure: (Hg, Pr) Sr4 Fe2 O9 Journal of Solid State Chemistry 124 (1996) 1-7
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/1/00/17/1001740.cif $ #-------------------------------------------------------------------...
7,052,629
6.7914
0.0006
30.287
0.003
8.1676
0.0008
90
null
90.331
0.004
90
null
1,680
0.3
100
null
100
null
null
null
null
null
synthesis as described
5
P 1 21/c 1
-P 2ybc
14
- C12 H20 N2 O11 Pb -
- C12 H20 N2 O11 Pb -
- C48 H80 N8 O44 Pb4 -
4
1
Kostakis, George E.; Casella, Luigi; Boudalis, Athanassios K.; Monzani, Enrico; Plakatouras, John C.
Structural variation from 1D chains to 3D networks: a systematic study of coordination number effect on the construction of coordination polymers using the terepthaloylbisglycinate ligand
New Journal of Chemistry
2,011
35
5
1060
10.1039/c0nj01009j
x-ray
0.71073
MoKα
0.0546
0.0426
null
null
0.1114
0.1204
null
null
null
null
null
1.054
null
null
has coordinates
Kostakis, George E.; Casella, Luigi; Boudalis, Athanassios K.; Monzani, Enrico; Plakatouras, John C. Structural variation from 1D chains to 3D networks: a systematic study of coordination number effect on the construction of coordination polymers using the terepthaloylbisglycinate ligand New Journal of Chemistry 35(5) ...
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052629.cif $ #-------------------------------------------------------------------...
1,001,741
6.2786
0.0007
9.1551
0.0005
14.8999
0.0012
90
null
106.22
0.01
90
null
822.4
null
null
null
null
null
null
null
null
null
synthetic
4
P 1 21/c 1
-P 2ybc
14
Calcium nitrate tetrahydrate - $-alpha
Nitrocalcite
- Ca H8 N2 O10 -
- Ca H8 N2 O10 -
- Ca4 H32 N8 O40 -
4
1
Leclaire, A.; Monier, J. C.
Liaisons hydrogene dans les cristaux de Ca(NO3)2*4H2Oalpha Locality: synthetic
Acta Crystallographica, Section B
1,977
33
1861
1866
10.1107/S0567740877007213
null
0.028
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A.; Monier, J. C. Liaisons hydrogene dans les cristaux de Ca(NO3)2*4H2Oalpha Locality: synthetic Acta Crystallographica, Section B 33 (1977) 1861-1866
303,120
2025-10-31
16:25:07
#------------------------------------------------------------------------------ #$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/1/00/17/1001741.cif $ #-------------------------------------------------------------------...
1,001,742
10.152
null
10.152
null
14.28
null
90
null
90
null
120
null
1,274.6
null
null
null
null
null
null
null
null
null
rich - synthetic
5
P 6/m c c
-P 6 2c
192
Sodium potassium pentamagnesium dodecasilicate
Eifelite
- K Mg5 Na O30 Si12 -
- K Mg5 Na O30 Si12 -
- K2 Mg10 Na2 O60 Si24 -
2
0.083333
Nguyen, N; Choisnet, J; Raveau, B
Silicates synthetiques a structure milarite
Journal of Solid State Chemistry
1,980
34
1
9
10.1016/0022-4596(80)90395-3
null
0.055
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nguyen, N; Choisnet, J; Raveau, B Silicates synthetiques a structure milarite Journal of Solid State Chemistry 34 (1980) 1-9
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/1/00/17/1001742.cif $ #-------------------------------------------------------------------...
1,001,743
6.268
0.006
9.116
0.009
14.83
0.01
90
null
106.5
0.33
90
null
812.5
null
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
Calcium nitrate tetrahydrate
Nitrocalcite
- Ca H8 N2 O10 -
- Ca H8 N2 O10 -
- Ca4 H32 N8 O40 -
4
1
Leclaire, A; Monier, J C
Structure cristalline du nitrate de calcium tetrahydrate
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)
1,970
271
1555
1557
null
0.051
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Monier, J C Structure cristalline du nitrate de calcium tetrahydrate Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 271 (1970) 1555-1557
301,771
2025-08-18
12:22:44
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:21:50 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301771 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/17/1001743.cif $ #-------------------------------------------------------------------...
1,001,744
7.629
0.002
7.629
0.002
7.629
0.002
90
null
90
null
90
null
444
null
null
null
null
null
null
null
null
null
synthetic from solution
4
P n -3 :2
-P 2ab 2bc 3
201
Iron(III) tin(IV) oxide pentahydroxide
Jeanbandyite oxidized
- Fe H5 O6 Sn -
- Fe H0.83 O6 Sn -
- Fe4 H3.32 O24 Sn4 -
4
0.166667
Morgenstern-Badarau, I; Michel, A
Sur l'existence d'un oxyhydroxyde double de fer(III) et d'etain(IV)
Journal of Inorganic and Nuclear Chemistry
1,976
38
1400
1402
10.1016/0022-1902(76)80168-6
null
0.042
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Morgenstern-Badarau, I; Michel, A Sur l'existence d'un oxyhydroxyde double de fer(III) et d'etain(IV) Journal of Inorganic and Nuclear Chemistry 38 (1976) 1400-1402
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/1/00/17/1001744.cif $ #-------------------------------------------------------------------...
1,001,745
8.771
0.014
10.16
0.02
3.784
0.003
90
null
90
null
90
null
337.2
null
null
null
null
null
null
null
null
null
3
P m n m :2
-P 2c 2a
59
Sodium triniobate
- Na Nb3 O8 -
- Na Nb3 O8 -
- Na2 Nb6 O16 -
2
0.25
Nedjar, R; Borel, M M; Leclaire, A; Raveau, B
The sodium niobate Na Nb3 O8: A novel lamellar oxide synthesized by soft chemistry
Journal of Solid State Chemistry
1,987
71
182
188
10.1016/0022-4596(87)90157-5
null
0.07
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nedjar, R; Borel, M M; Leclaire, A; Raveau, B The sodium niobate Na Nb3 O8: A novel lamellar oxide synthesized by soft chemistry Journal of Solid State Chemistry 71 (1987) 182-188
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/1/00/17/1001745.cif $ #-------------------------------------------------------------------...
1,001,746
13.007
0.001
12.325
0.002
5.2829
0.0008
90
null
90
null
90
null
846.9
null
null
null
null
null
null
null
null
null
4
C c m 21
C 2c -2c
36
Rubidium phosphorus tungsten oxide (.5/8/8/40)
- O40 P8 Rb0.5 W8 -
- O40 P8 Rb0.5 W8 -
- O40 P8 Rb0.5 W8 -
1
0.125
Lamire, M; Labbe, P; Goreaud, M; Raveau, B
Rbx P8 W8 O40: Un bronze-diphosphate de tungstene a tunnels octagonaux. Etude structurale comparee avec Cs P8 W8 O40
Revue de Chimie Minerale
1,987
24
153
164
null
0.022
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lamire, M; Labbe, P; Goreaud, M; Raveau, B Rbx P8 W8 O40: Un bronze-diphosphate de tungstene a tunnels octagonaux. Etude structurale comparee avec Cs P8 W8 O40 Revue de Chimie Minerale 24 (1987) 153-164
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/1/00/17/1001746.cif $ #-------------------------------------------------------------------...
7,052,628
6.8863
0.0005
30.987
0.002
8.0216
0.0006
90
null
93.21
0.004
90
null
1,709
0.2
120
2
120
2
null
null
null
null
synthesis as described
5
P 1 21/n 1
-P 2yn
14
- C12 H22 Mn N2 O12 -
- C12 H22 Mn N2 O12 -
- C48 H88 Mn4 N8 O48 -
4
1
Kostakis, George E.; Casella, Luigi; Boudalis, Athanassios K.; Monzani, Enrico; Plakatouras, John C.
Structural variation from 1D chains to 3D networks: a systematic study of coordination number effect on the construction of coordination polymers using the terepthaloylbisglycinate ligand
New Journal of Chemistry
2,011
35
5
1060
10.1039/c0nj01009j
x-ray
0.71073
MoKα
0.1142
0.0499
null
null
0.1015
0.1217
null
null
null
null
null
1.042
null
null
has coordinates
Kostakis, George E.; Casella, Luigi; Boudalis, Athanassios K.; Monzani, Enrico; Plakatouras, John C. Structural variation from 1D chains to 3D networks: a systematic study of coordination number effect on the construction of coordination polymers using the terepthaloylbisglycinate ligand New Journal of Chemistry 35(5) ...
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052628.cif $ #-------------------------------------------------------------------...
1,001,747
3.8865
0.0001
3.8865
0.0001
41.827
0.002
90
null
90
null
90
null
631.8
null
null
null
null
null
null
null
null
null
5
I 4/m m m
-I 4 2
139
Calcium gadolinium copper oxide chloride (3.8/2.2/3/8.16/3.84)
- Ca3.8 Cl3.84 Cu3 Gd2.2 O8.16 -
- Ca3.8 Cl3.84 Cu3 Gd2.2 O8.16 -
- Ca7.6 Cl7.68 Cu6 Gd4.4 O16.32 -
2
0.0625
Pelloquin, D; Sundaresan, A; Hervieu, M; Michel, C; Raveau, B
New copper oxychlorides Ca4 Ln2 Cu3 O8 Cl4, first members of the intergrowth series (Ca2 Cu O2 Cl2)m (Ln2 Ca2 Cu2 O6 Cl2)n (Ln = Gd,Sm)
Journal of Solid State Chemistry
1,996
127
315
324
10.1006/jssc.1996.0389
null
0.089
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pelloquin, D; Sundaresan, A; Hervieu, M; Michel, C; Raveau, B New copper oxychlorides Ca4 Ln2 Cu3 O8 Cl4, first members of the intergrowth series (Ca2 Cu O2 Cl2)m (Ln2 Ca2 Cu2 O6 Cl2)n (Ln = Gd,Sm) Journal of Solid State Chemistry 127 (1996) 315-324
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/1/00/17/1001747.cif $ #-------------------------------------------------------------------...
1,001,748
14.22
0.001
6.5138
0.0006
7.5166
0.0008
90
null
90
null
90
null
696.2
null
null
null
null
null
null
null
null
null
4
P n m a
-P 2ac 2n
62
Strontium divanadium(III) oxide bis(phosphate(V))
- O9 P2 Sr V2 -
- O9 P2 Sr V2 -
- O36 P8 Sr4 V8 -
4
0.5
Boudin, S; Grandin, A; Labbe, Ph; Provost, J; Raveau, B
The V(III) monophosphate series A V2 O (P O4)2 with A = Cd, Ca, Sr: structure and magnetism
Journal of Solid State Chemistry
1,996
127
325
330
10.1006/jssc.1996.0390
null
0.039
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Boudin, S; Grandin, A; Labbe, Ph; Provost, J; Raveau, B The V(III) monophosphate series A V2 O (P O4)2 with A = Cd, Ca, Sr: structure and magnetism Journal of Solid State Chemistry 127 (1996) 325-330
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/1/00/17/1001748.cif $ #-------------------------------------------------------------------...
1,001,749
5.386
0.0007
5.4195
0.0007
15.72
0.002
90
null
90
null
90
null
458.9
null
null
null
null
null
null
null
null
null
7
C m m m
-C 2 2
65
Lead calcium strontium yttrium copper chromium oxide (1.75/0.2/2/1/2.85/0.15/8)
- Ca0.2 Cr0.15 Cu2.85 O8 Pb1.75 Sr2 Y -
- Ca0.2 Cr0.15 Cu2.85 O8 Pb1.75 Sr2 Y -
- Ca0.4 Cr0.3 Cu5.7 O16 Pb3.5 Sr4 Y2 -
2
0.125
Seshadri, R; Maignan, A; Hervieu, M; Martin, C; Raveau, B; Rao, C N R
Substitution of chromium for univalent copper in superconducting Pb2 Sr2 (Ca, Y) Cu3 O8+d
Journal of Solid State Chemistry
1,996
127
64
71
10.1006/jssc.1996.0357
null
0.088
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Seshadri, R; Maignan, A; Hervieu, M; Martin, C; Raveau, B; Rao, C N R Substitution of chromium for univalent copper in superconducting Pb2 Sr2 (Ca, Y) Cu3 O8+d Journal of Solid State Chemistry 127 (1996) 64-71
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/1/00/17/1001749.cif $ #-------------------------------------------------------------------...
1,001,750
5.1625
0.0004
5.1625
0.0004
11.1616
0.0009
90
null
90
null
90
null
297.5
null
null
null
null
null
null
null
null
null
4
I 41/a :2
-I 4ad
88
Cadmium molybdenum tungsten oxide (1/0.5/0.5/4)
- Cd Mo0.5 O4 W0.5 -
- Cd Mo0.5 O4 W0.5 -
- Cd4 Mo2 O16 W2 -
4
0.25
Daturi, M; Borel, M M; Leclaire, A; Savary, L; Costentin, G; Lavalley, J C; Raveau, B
Crystallographic and catalytic studies of a new solid solution Cd Mox W1-x O4
Journal de Chimie Physique et de Physico-Chimie Biologique
1,996
93
2043
2053
null
0.021
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Daturi, M; Borel, M M; Leclaire, A; Savary, L; Costentin, G; Lavalley, J C; Raveau, B Crystallographic and catalytic studies of a new solid solution Cd Mox W1-x O4 Journal de Chimie Physique et de Physico-Chimie Biologique 93 (1996) 2043-2053
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/1/00/17/1001750.cif $ #-------------------------------------------------------------------...
1,001,751
5.0289
0.0004
5.8596
0.0005
5.0715
0.0006
90
null
91.519
0.008
90
null
149.4
null
null
null
null
null
null
null
null
null
3
P 1 2/c 1
-P 2yc
13
Cadmium tungstate
- Cd O4 W -
- Cd O4 W -
- Cd2 O8 W2 -
2
0.5
Daturi, M; Borel, M M; Leclaire, A; Savary, L; Costentin, G; Lavalley, J C; Raveau, B
Crystallographic and catalytic studies of a new solid solution Cd Mox W1-x O4
Journal de Chimie Physique et de Physico-Chimie Biologique
1,996
93
2043
2053
null
0.037
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Daturi, M; Borel, M M; Leclaire, A; Savary, L; Costentin, G; Lavalley, J C; Raveau, B Crystallographic and catalytic studies of a new solid solution Cd Mox W1-x O4 Journal de Chimie Physique et de Physico-Chimie Biologique 93 (1996) 2043-2053
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/1/00/17/1001751.cif $ #-------------------------------------------------------------------...
7,052,627
6.9224
0.0002
7.9698
0.0002
30.1896
0.0008
90
null
93.8408
0.0014
90
null
1,661.82
0.08
120
2
120
2
null
null
null
null
synthesis as described
5
C 1 2/c 1
-C 2yc
15
Compound X
- C12 H20 Cd N2 O11 -
- C12 H20 Cd N2 O11 -
- C48 H80 Cd4 N8 O44 -
4
0.5
Kostakis, George E.; Casella, Luigi; Boudalis, Athanassios K.; Monzani, Enrico; Plakatouras, John C.
Structural variation from 1D chains to 3D networks: a systematic study of coordination number effect on the construction of coordination polymers using the terepthaloylbisglycinate ligand
New Journal of Chemistry
2,011
35
5
1060
10.1039/c0nj01009j
x-ray
0.71069
MoKα
0.0246
0.0212
null
null
0.046
0.047
null
null
null
null
null
1.093
null
null
has coordinates
Kostakis, George E.; Casella, Luigi; Boudalis, Athanassios K.; Monzani, Enrico; Plakatouras, John C. Structural variation from 1D chains to 3D networks: a systematic study of coordination number effect on the construction of coordination polymers using the terepthaloylbisglycinate ligand New Journal of Chemistry 35(5) ...
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052627.cif $ #-------------------------------------------------------------------...
1,001,752
3.8056
0.0001
3.8056
0.0001
30.48199
0.001
90
null
90
null
90
null
441.5
null
null
null
null
null
null
null
null
null
5
I 4/m m m
-I 4 2
139
Lead mercury strontium iron oxide (0.43/0.43/4/2/9)
- Fe2 Hg0.4325 O9 Pb0.4325 Sr4 -
- Fe2 Hg0.4325 O9 Pb0.4325 Sr4 -
- Fe4 Hg0.865 O18 Pb0.865 Sr8 -
2
0.0625
Nguyen, N; Daniel, P; Groult, D; Raveau, B; Greneche, J M
New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with the 0201 - 1201 intergrowth type structure
Materials Chemistry and Physics
1,996
45
33
38
10.1016/0254-0584(96)80044-7
null
0.056
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nguyen, N; Daniel, P; Groult, D; Raveau, B; Greneche, J M New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with the 0201 - 1201 intergrowth type structure Materials Chemistry and Physics 45 (1996) 33-38
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/1/00/17/1001752.cif $ #-------------------------------------------------------------------...
1,001,753
3.8084
0.0002
3.8084
0.0002
30.45299
0.001
90
null
90
null
90
null
441.7
null
null
null
null
null
null
null
null
null
5
I 4/m m m
-I 4 2
139
Lead cadmium strontium iron oxide (0.4/0.4/4/2/9)
- Cd0.395 Fe2 O9 Pb0.395 Sr4 -
- Cd0.395 Fe2 O9 Pb0.395 Sr4 -
- Cd0.79 Fe4 O18 Pb0.79 Sr8 -
2
0.0625
Nguyen, N; Daniel, P; Groult, D; Raveau, B; Greneche, J M
New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with the 0201 - 1201 intergrowth type structure
Materials Chemistry and Physics
1,996
45
33
38
10.1016/0254-0584(96)80044-7
null
0.085
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nguyen, N; Daniel, P; Groult, D; Raveau, B; Greneche, J M New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with the 0201 - 1201 intergrowth type structure Materials Chemistry and Physics 45 (1996) 33-38
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/1/00/17/1001753.cif $ #-------------------------------------------------------------------...
1,001,754
7.735
0.001
12.655
0.001
8.324
0.001
90
null
105.97
0.01
90
null
783.4
null
null
null
null
null
null
null
null
null
5
P 1 21/m 1
-P 2yb
11
Lithium molybdenum tungsten oxide phosphate (0.5/1/1/3/2)
- Li0.5 Mo O11 P2 W -
- Li0.5 Mo0.9995 O11 P2 W1.0005 -
- Li2 Mo3.998 O44 P8 W4.002 -
4
1
Leclaire, A; Borel, M M; Chardon, J; Raveau, B
Nonstoichiometry in the Li Mo2 (P O4)3 structure: the molybdenotungsten monophosphate Li0.5 Mo W O3 (P O4)2
Materials Research Bulletin
1,996
31
10
1257
1262
10.1016/0025-5408(96)00116-X
null
0.033
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Borel, M M; Chardon, J; Raveau, B Nonstoichiometry in the Li Mo2 (P O4)3 structure: the molybdenotungsten monophosphate Li0.5 Mo W O3 (P O4)2 Materials Research Bulletin 31(10) (1996) 1257-1262
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/1/00/17/1001754.cif $ #-------------------------------------------------------------------...
7,052,626
12.5928
0.0007
12.5928
0.0007
19.4047
0.0019
90
null
90
null
90
null
3,077.2
0.4
100
2
100
2
null
null
null
null
4
P 43 21 2
P 4nw 2abw
96
1,5-Diphenylamino-8-ethylamino-tri-s-triazine
1,5-Diphenylamino-8-ethylamino-tri-s-triazine
- C34 H34 N10 O2 -
- C34 H34 N10 O2 -
- C136 H136 N40 O8 -
4
0.5
Schwarzer, Anke; Kroke, Edwin
A series of aryl-/alkyl-substituted melems
New Journal of Chemistry
2,011
35
4
953
10.1039/c0nj00989j
0.71073
MoKα
0.2683
0.0569
null
null
0.1159
0.1544
null
null
null
null
null
0.808
null
null
has coordinates,has disorder
Schwarzer, Anke; Kroke, Edwin A series of aryl-/alkyl-substituted melems New Journal of Chemistry 35(4) (2011) 953
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052626.cif $ #-------------------------------------------------------------------...
1,001,755
3.8801
0.0002
3.8801
0.0002
9.495
0.001
90
null
90
null
90
null
142.9
null
null
null
null
null
null
null
null
null
5
P 4/m m m
-P 4 2
123
Mercury cerium barium copper oxide (0.85/0.15/2/1/4.15)
- Ba2 Ce0.15 Cu Hg0.85 O4.15 -
- Ba2 Ce0.15 Cu Hg0.85 O4.15 -
- Ba2 Ce0.15 Cu Hg0.85 O4.15 -
1
0.0625
Letouze, F; Huve, M; Martin, C; Maignan, A; Michel, C; Hervieu, M; Raveau, B
Introduction of lanthanide on the mercury site of the Hg Ba2 Cu O4 superconductor
Materials Research Bulletin
1,996
31
6
657
663
10.1016/0025-5408(96)00049-9
null
0.078
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Letouze, F; Huve, M; Martin, C; Maignan, A; Michel, C; Hervieu, M; Raveau, B Introduction of lanthanide on the mercury site of the Hg Ba2 Cu O4 superconductor Materials Research Bulletin 31(6) (1996) 657-663
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/1/00/17/1001755.cif $ #-------------------------------------------------------------------...
1,001,756
4.3499
0.0002
4.3499
0.0002
25.36699
0.001
90
null
90
null
90
null
480
null
null
null
null
null
null
null
null
null
4
I 4/m m m
-I 4 2
139
Dithallium tribarium dichloride pentaoxide
- Ba3 Cl2 O5 Tl2 -
- Ba3 Cl2 O5 Tl2 -
- Ba6 Cl4 O10 Tl4 -
2
0.0625
Letouze, F; Martin, C; Pelloquin, D; Michel, C; Hervieu, M; Raveau, B
A thallium oxychloride closely related to the Sr3 Ti2 O7 and Y Ba Fe Cu O5 structures: Ba3 Tl2 O5 Cl2
Materials Research Bulletin
1,996
31
7
773
780
10.1016/0025-5408(96)00065-7
null
0.059
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Letouze, F; Martin, C; Pelloquin, D; Michel, C; Hervieu, M; Raveau, B A thallium oxychloride closely related to the Sr3 Ti2 O7 and Y Ba Fe Cu O5 structures: Ba3 Tl2 O5 Cl2 Materials Research Bulletin 31(7) (1996) 773-780
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/1/00/17/1001756.cif $ #-------------------------------------------------------------------...
1,001,757
3.81474
0.00006
3.81474
0.00006
12.8293
0.0003
90
null
90
null
90
null
186.7
null
null
null
null
null
null
null
null
null
5
P 4/m m m
-P 4 2
123
Thallium lead strontium iron oxide (0.5/0.5/3/2/8)
- Fe2 O8 Pb0.5 Sr3 Tl0.5 -
- Fe2 O8 Pb0.5 Sr3 Tl0.5 -
- Fe2 O8 Pb0.5 Sr3 Tl0.5 -
1
0.0625
Nguyen, N.; Groult, D.; Caignaert, V.; Ducouret, A.; Raveau, B.
Neutron diffraction and Moessbauer spectroscopy studies of the mixed valent Tl-1212 ferrite (Tl~0.5~Pb~0.5~)Sr~3~Fe~2~O~8~
Physica B: Condensed Matter
1,996
228
3-4
251
260
10.1016/S0921-4526(96)00488-7
null
0.033
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nguyen, N.; Groult, D.; Caignaert, V.; Ducouret, A.; Raveau, B. Neutron diffraction and Moessbauer spectroscopy studies of the mixed valent Tl-1212 ferrite (Tl~0.5~Pb~0.5~)Sr~3~Fe~2~O~8~ Physica B: Condensed Matter 228(3-4) (1996) 251-260
176,429
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/17/1001757.cif $ #-------------------------------------------------------------------...
7,052,625
12.553
0.0009
15.4588
0.0011
18.053
0.0015
83.008
0.004
80.797
0.004
67.012
0.004
3,176.8
0.4
100
2
100
2
null
null
null
null
4
P -1
-P 1
2
1-Phenylamino-5,8-diethylamino-tri-s-triazin
1-Phenylamino-5,8-diethylamino-tri-s-triazin
- C57 H75 N25 O10 -
- C57 H75 N25 O10 -
- C114 H150 N50 O20 -
2
1
Schwarzer, Anke; Kroke, Edwin
A series of aryl-/alkyl-substituted melems
New Journal of Chemistry
2,011
35
4
953
10.1039/c0nj00989j
0.71073
MoKα
0.2224
0.069
null
null
0.1381
0.178
null
null
null
null
null
0.871
null
null
has coordinates
Schwarzer, Anke; Kroke, Edwin A series of aryl-/alkyl-substituted melems New Journal of Chemistry 35(4) (2011) 953
301,851
2025-08-21
20:32:41
#------------------------------------------------------------------------------ #$Date: 2025-08-21 23:04:39 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301851 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052625.cif $ #-------------------------------------------------------------------...
1,001,758
3.81002
0.00005
3.81002
0.00005
12.7964
0.0002
90
null
90
null
90
null
185.8
null
null
null
null
null
null
null
null
null
5
P 4/m m m
-P 4 2
123
Thallium lead strontium iron oxide (0.5/0.5/3/2/8)
- Fe2 O8 Pb0.5 Sr3 Tl0.5 -
- Fe2 O8 Pb0.5 Sr3 Tl0.5 -
- Fe2 O8 Pb0.5 Sr3 Tl0.5 -
1
0.0625
Nguyen, N.; Groult, D.; Caignaert, V.; Ducouret, A.; Raveau, B.
Neutron diffraction and Moessbauer spectroscopy studies of the mixed valent Tl-1212 ferrite (Tl~0.5~Pb~0.5~)Sr~3~Fe~2~O~8~
Physica B: Condensed Matter
1,996
228
3-4
251
260
10.1016/S0921-4526(96)00488-7
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nguyen, N.; Groult, D.; Caignaert, V.; Ducouret, A.; Raveau, B. Neutron diffraction and Moessbauer spectroscopy studies of the mixed valent Tl-1212 ferrite (Tl~0.5~Pb~0.5~)Sr~3~Fe~2~O~8~ Physica B: Condensed Matter 228(3-4) (1996) 251-260
176,429
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/17/1001758.cif $ #-------------------------------------------------------------------...
1,001,759
3.7652
0.0001
3.7652
0.0001
8.9428
0.0003
90
null
90
null
90
null
126.8
null
null
null
null
null
null
null
null
null
5
P 4/m m m
-P 4 2
123
Mercury bismuth strontium copper oxide (0.5/0.5/2/1/4.92)
- Bi0.5 Cu Hg0.5 O4.92 Sr2 -
- Bi0.5 Cu Hg0.5 O4.92 Sr2 -
- Bi0.5 Cu Hg0.5 O4.92 Sr2 -
1
0.0625
Pelloquin, D; Michel, C; Hervieu, M; Studer, F; Raveau, B
On the crystal structure of the "1201" superconductors Hg0.5 Bi0.5 Sr2- x Lax Cu O5-d
Physica C (Amsterdam) (152,1988-)
1,996
257
195
209
10.1016/0921-4534(95)00722-9
null
0.043
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pelloquin, D; Michel, C; Hervieu, M; Studer, F; Raveau, B On the crystal structure of the "1201" superconductors Hg0.5 Bi0.5 Sr2- x Lax Cu O5-d Physica C (Amsterdam) (152,1988-) 257 (1996) 195-209
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/1/00/17/1001759.cif $ #-------------------------------------------------------------------...
1,001,760
3.7769
0.0001
3.7769
0.0001
8.8252
0.0003
90
null
90
null
90
null
125.9
null
null
null
null
null
null
null
null
null
6
P 4/m m m
-P 4 2
123
Mercury bismuth strontium lanthanum copper oxide (0.5/0.5/1.5/0.5/1/5)
- Bi0.5 Cu Hg0.5 La0.5 O5 Sr1.5 -
- Bi0.5 Cu Hg0.5 La0.5 O5 Sr1.5 -
- Bi0.5 Cu Hg0.5 La0.5 O5 Sr1.5 -
1
0.0625
Pelloquin, D; Michel, C; Hervieu, M; Studer, F; Raveau, B
On the crystal structure of the "1201" superconductors Hg0.5 Bi0.5 Sr2- x Lax Cu O5-d
Physica C (Amsterdam) (152,1988-)
1,996
257
195
209
10.1016/0921-4534(95)00722-9
null
0.046
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pelloquin, D; Michel, C; Hervieu, M; Studer, F; Raveau, B On the crystal structure of the "1201" superconductors Hg0.5 Bi0.5 Sr2- x Lax Cu O5-d Physica C (Amsterdam) (152,1988-) 257 (1996) 195-209
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/1/00/17/1001760.cif $ #-------------------------------------------------------------------...
7,052,624
8.3533
0.0012
15.991
0.002
17.814
0.003
111.035
0.007
95.13
0.008
95.873
0.006
2,188.8
0.6
200
2
200
2
null
null
null
null
4
P -1
-P 1
2
Hexaphenylmelem
Hexaphenylmelem
- C45 H39 N13 O6 -
- C45 H39 N13 O6 -
- C90 H78 N26 O12 -
2
1
Schwarzer, Anke; Kroke, Edwin
A series of aryl-/alkyl-substituted melems
New Journal of Chemistry
2,011
35
4
953
10.1039/c0nj00989j
0.71073
MoKα
0.2634
0.0868
null
null
0.1924
0.2678
null
null
null
null
null
0.967
null
null
has coordinates
Schwarzer, Anke; Kroke, Edwin A series of aryl-/alkyl-substituted melems New Journal of Chemistry 35(4) (2011) 953
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052624.cif $ #-------------------------------------------------------------------...
1,001,761
3.7803
0.0001
15.2573
0.0002
17.67369
0.0003
90
null
90
null
90
null
1,019.4
null
null
null
null
null
null
null
null
null
5
A 2 m m
A -2 2
35
Thallium strontium copper chromate oxide (3/8/4/1/15.9)
- Cr Cu4 O19.9 Sr8 Tl3 -
- Cr Cu4 O19.9 Sr8 Tl3 -
- Cr2 Cu8 O39.8 Sr16 Tl6 -
2
0.25
Michel, C; Letouze, F; Martin, C; Hervieu, M; Raveau, B
Neutron diffraction structure determination of the superconducting copper oxychromate Tl3 (Cr O4) Sr8 Cu4 O16
Physica C (Amsterdam) (152,1988-)
1,996
262
159
167
10.1016/0921-4534(96)00239-0
null
0.044
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Michel, C; Letouze, F; Martin, C; Hervieu, M; Raveau, B Neutron diffraction structure determination of the superconducting copper oxychromate Tl3 (Cr O4) Sr8 Cu4 O16 Physica C (Amsterdam) (152,1988-) 262 (1996) 159-167
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/1/00/17/1001761.cif $ #-------------------------------------------------------------------...
1,001,762
3.88
0.0004
3.88
0.0004
9.492
0.002
90
null
90
null
90
null
142.9
null
null
null
null
null
null
null
null
null
5
P 4/m m m
-P 4 2
123
Mercury bismuth barium copper oxide (0.8/0.2/2/1/4.28)
- Ba2 Bi0.22 Cu Hg0.78 O4.28 -
- Ba2 Bi0.22 Cu Hg0.78 O4.28 -
- Ba2 Bi0.22 Cu Hg0.78 O4.28 -
1
0.0625
Pelloquin, D; Maignan, A; Guesdon, A; Hardy, V; Raveau, B
Single crystal study of the "1201" superconductor Hg0.8 Bi0.2 Ba2 Cu O4+d
Physica C (Amsterdam) (152,1988-)
1,996
265
5
12
10.1016/0921-4534(96)00296-1
null
0.063
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pelloquin, D; Maignan, A; Guesdon, A; Hardy, V; Raveau, B Single crystal study of the "1201" superconductor Hg0.8 Bi0.2 Ba2 Cu O4+d Physica C (Amsterdam) (152,1988-) 265 (1996) 5-12
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/1/00/17/1001762.cif $ #-------------------------------------------------------------------...
1,001,763
3.7619
0.0001
3.7619
0.0001
8.9984
0.0004
90
null
90
null
90
null
127.3
null
null
null
null
null
null
null
null
null
5
P 4/m m m
-P 4 2
123
Thallium bismuth strontium copper oxide (0.65/0.46/1.86/1/4.99)
- Bi0.4601 Cu O4.99 Sr1.86 Tl0.6499 -
- Bi0.46 Cu O4.99 Sr1.86 Tl0.65 -
- Bi0.46 Cu O4.99 Sr1.86 Tl0.65 -
1
0.0625
Michel, C; Hervieu, M; Martin, C; Maignan, A; Huve, M; Raveau, B
Modulated ordering of bismuth and strontium in the "1201" cuprate (Tl2/3 Bi1/3)0.97 Sr1.86 Bi0.14 Cu O5-d
Physica C (Amsterdam) (152,1988-)
1,996
271
111
121
10.1016/S0921-4534(96)00527-8
null
0.032
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Michel, C; Hervieu, M; Martin, C; Maignan, A; Huve, M; Raveau, B Modulated ordering of bismuth and strontium in the "1201" cuprate (Tl2/3 Bi1/3)0.97 Sr1.86 Bi0.14 Cu O5-d Physica C (Amsterdam) (152,1988-) 271 (1996) 111-121
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/1/00/17/1001763.cif $ #-------------------------------------------------------------------...
7,052,623
9.345
0.0011
10.061
0.0013
14.9597
0.0018
83.288
0.007
87.451
0.007
80.642
0.008
1,377.8
0.3
100
2
100
2
null
null
null
null
3
P -1
-P 1
2
1-Phenylamino-5,8-diethylamino-tri-s-triazin
1-Phenylamino-5,8-diethylamino-tri-s-triazin
- C30 H35 N10 -
- C30 H35 N10 -
- C60 H70 N20 -
2
1
Schwarzer, Anke; Kroke, Edwin
A series of aryl-/alkyl-substituted melems
New Journal of Chemistry
2,011
35
4
953
10.1039/c0nj00989j
0.71073
MoKα
0.1502
0.0596
null
null
0.1126
0.1317
null
null
null
null
null
0.898
null
null
has coordinates
Schwarzer, Anke; Kroke, Edwin A series of aryl-/alkyl-substituted melems New Journal of Chemistry 35(4) (2011) 953
301,851
2025-08-21
20:32:41
#------------------------------------------------------------------------------ #$Date: 2025-08-21 23:04:39 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301851 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052623.cif $ #-------------------------------------------------------------------...
1,001,764
3.8845
0.0003
3.8845
0.0003
9.5237
0.0009
90
null
90
null
90
null
143.7
null
null
null
null
null
null
null
null
null
4
P 4/m m m
-P 4 2
123
Mercury barium copper oxide (0.84/2/1.16/4.19)
- Ba2 Cu1.16 Hg0.84 O4.19 -
- Ba2 Cu1.16 Hg0.84 O4.19 -
- Ba2 Cu1.16 Hg0.84 O4.19 -
1
0.0625
Pelloquin, D; Hardy, V; Maignan, A; Raveau, B
Single crystals of the 96 K superconductor (Hg, Cu) Ba2 Cu O4+d: growth, structure and magnetism
Physica C (Amsterdam) (152,1988-)
1,997
273
205
212
10.1016/S0921-4534(96)00627-2
null
0.059
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pelloquin, D; Hardy, V; Maignan, A; Raveau, B Single crystals of the 96 K superconductor (Hg, Cu) Ba2 Cu O4+d: growth, structure and magnetism Physica C (Amsterdam) (152,1988-) 273 (1997) 205-212
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/1/00/17/1001764.cif $ #-------------------------------------------------------------------...
1,001,765
5.431
0.002
7.625
0.002
5.477
0.002
90
null
90
null
90
null
226.8
null
null
null
null
null
null
null
null
null
4
I m m a
-I 2b 2
74
Neodymium strontium manganese oxide (0.5/0.5/1/3)
- Mn Nd0.5 O3 Sr0.5 -
- Mn Nd0.5 O3 Sr0.5 -
- Mn4 Nd2 O12 Sr2 -
4
0.25
Caignaert, V; Millange, F; Hervieu, M; Suard, E; Raveau, B
The manganite Nd0.5 Sr0.5 Mn O3: a rare distortion of the perovskite
Solid State Communications
1,996
99
3
173
177
10.1016/0038-1098(96)00189-5
null
0.028
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Caignaert, V; Millange, F; Hervieu, M; Suard, E; Raveau, B The manganite Nd0.5 Sr0.5 Mn O3: a rare distortion of the perovskite Solid State Communications 99(3) (1996) 173-177
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/1/00/17/1001765.cif $ #-------------------------------------------------------------------...
1,001,766
13.766
0.001
8.002
0.001
15.497
0.001
90
null
98.34
0.01
90
null
1,689
null
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
Dipotassium catena-tungstodiphosphate
- K2 O9 P2 W -
- K2 O9 P2 W -
- K16 O72 P16 W8 -
8
1
Borel, M-M; Leclaire, A; Chardon, J; Michel, C; Raveau, B
New molybdeno- and tungstodiphosphates with the (N H4)2 Mo O2 P2 O7chain-like structure
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)
1,997
324
189
195
null
0.039
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Borel, M-M; Leclaire, A; Chardon, J; Michel, C; Raveau, B New molybdeno- and tungstodiphosphates with the (N H4)2 Mo O2 P2 O7chain-like structure Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-) 324 (1997) 189-195
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/1/00/17/1001766.cif $ #-------------------------------------------------------------------...
1,001,767
4.8984
0.0004
8.3919
0.0008
7.034
0.001
90
null
109.33
0.01
90
null
272.8
null
null
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
Lithium molybdenum(III) diphosphate
- Li Mo O7 P2 -
- Li Mo O7 P2 -
- Li2 Mo2 O14 P4 -
2
1
Ledain, S; Leclaire, A; Borel, M M; Raveau, B
Li Mo P2 O7
Acta Crystallographica C (39,1983-)
1,996
52
1593
1594
null
0.029
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ledain, S; Leclaire, A; Borel, M M; Raveau, B Li Mo P2 O7 Acta Crystallographica C (39,1983-) 52 (1996) 1593-1594
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/1/00/17/1001767.cif $ #-------------------------------------------------------------------...
1,001,768
3.589
0.008
3.589
0.008
4.911
0.014
90
null
90
null
120
null
54.8
null
null
null
null
null
null
null
null
null
synthetic by slow diffusion
3
P -3 m 1
-P 3 2"
164
Calcium hydroxide
Portlandite
- Ca H2 O2 -
- Ca H2 O2 -
- Ca H2 O2 -
1
0.083333
Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C
Hydrogen thermal motion in calcium hydroxide: Ca (O H)2
Acta Crystallographica B (39,1983-)
1,993
49
812
817
null
0.028
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 Acta Crystallographica B (39,1983-) 49 (1993) 812-817
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/1/00/17/1001768.cif $ #-------------------------------------------------------------------...
7,052,622
14.377
0.004
13.872
0.003
14.606
0.004
90
null
102.988
0.003
90
null
2,838.5
1.3
296
2
296
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C30 H20 N6 O6 Zn2 -
- C30 H20 N6 O6 Zn2 -
- C120 H80 N24 O24 Zn8 -
4
1
Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang
Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks
New Journal of Chemistry
2,011
35
4
865
10.1039/c0nj00904k
0.71073
MoKα
0.1057
0.0502
null
null
0.1127
0.1405
null
null
null
null
null
1.025
null
null
has coordinates
Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks New Journal of Chemistry 35(4) (2011) 865
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052622.cif $ #-------------------------------------------------------------------...
1,001,769
3.589
0.008
3.589
0.008
4.911
0.014
90
null
90
null
120
null
54.8
null
null
null
null
null
null
null
null
null
synthetic by slow diffusion
3
P -3 m 1
-P 3 2"
164
Calcium hydroxide
Portlandite
- Ca H2 O2 -
- Ca H2 O2 -
- Ca H2 O2 -
1
0.083333
Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C
Hydrogen thermal motion in calcium hydroxide: Ca (O H)2
Acta Crystallographica B (39,1983-)
1,993
49
812
817
null
0.019
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 Acta Crystallographica B (39,1983-) 49 (1993) 812-817
301,771
2025-08-18
12:22:44
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:21:50 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301771 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/17/1001769.cif $ #-------------------------------------------------------------------...
1,001,770
7.876
0.002
7.876
0.002
3.954
0.001
90
null
90
null
120
null
212.4
null
null
null
null
null
null
null
null
null
synthetic
4
P 3 2 1
P 3 2"
150
Calcium chloride hexahydrate
Antarcticite
- Ca Cl2 H12 O6 -
- Ca Cl2 H12 O6 -
- Ca Cl2 H12 O6 -
1
0.166667
Leclaire, A; Borel, M M
Le dichlorure et le dibromure de calcium hexahydrates
Acta Crystallographica B (24,1968-38,1982)
1,977
33
2938
2940
10.1107/S0567740877009881
null
0.068
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Borel, M M Le dichlorure et le dibromure de calcium hexahydrates Acta Crystallographica B (24,1968-38,1982) 33 (1977) 2938-2940
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/1/00/17/1001770.cif $ #-------------------------------------------------------------------...
1,001,771
8.82
null
12.992
null
7.161
null
90
null
116.4
null
90
null
735
null
null
null
null
null
null
null
null
null
sanidine - artificial from gel at 873 K, 1 kbar, for 7 d
4
C 1 2/m 1
-C 2y
12
Rubidium feldspar
Rubidium tecto-alumotrisilicate
- Al O8 Rb Si3 -
- Al O8 Rb Si3 -
- Al4 O32 Rb4 Si12 -
4
0.5
Gasperin, M
Structure cristalline de Rb Al Si3 O8
Acta Crystallographica B (24,1968-38,1982)
1,971
27
854
855
10.1107/S0567740871003078
null
0.07
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gasperin, M Structure cristalline de Rb Al Si3 O8 Acta Crystallographica B (24,1968-38,1982) 27 (1971) 854-855
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/1/00/17/1001771.cif $ #-------------------------------------------------------------------...
1,001,772
4.634
null
7.69
null
13.512
null
90
null
90
null
90
null
481.5
null
null
null
null
null
null
null
null
null
synthetic
3
P c m n
-P 2n 2ac
62
Barium phyllo-disilicate
Sanbornite
- Ba O5 Si2 -
- Ba O5 Si2 -
- Ba4 O20 Si8 -
4
0.5
Goreaud, M; Choisnet, J; Raveau, B; Deschanvres, A
Sur les silicogermanates Ba (Si2-x Gex) O5 isotypes de la sanbornite
Revue de Chimie Minerale
1,974
11
207
216
null
0.065
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Goreaud, M; Choisnet, J; Raveau, B; Deschanvres, A Sur les silicogermanates Ba (Si2-x Gex) O5 isotypes de la sanbornite Revue de Chimie Minerale 11 (1974) 207-216
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/1/00/17/1001772.cif $ #-------------------------------------------------------------------...
1,001,773
6.728
0.005
6.728
0.005
9.838
0.005
90
null
90
null
120
null
385.7
null
null
null
null
null
null
null
null
null
synthetic
4
P -6 c 2
P -6c 2
188
Barium tin(IV) cyclo-trisilicate
Pabstite
- Ba O9 Si3 Sn -
- Ba O9 Si3 Sn -
- Ba2 O18 Si6 Sn2 -
2
0.166667
Choisnet, J; Deschanvres, A; Raveau, B
Sur de nouveaux germanates et silicates de type benitoite
Journal of Solid State Chemistry
1,972
4
209
218
10.1016/0022-4596(72)90107-7
null
0.103
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry 4 (1972) 209-218
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/1/00/17/1001773.cif $ #-------------------------------------------------------------------...
1,001,774
8.215
0.002
8.215
0.002
8.215
0.002
76.04
0.02
76.04
0.02
76.04
0.02
512.2
null
null
null
null
null
null
null
null
null
synthetic from solution at 348 K
5
R -3 :R
-P 3*
148
Calcium dimagnesium chloride dodecahydrate
Tachyhydrite
- Ca Cl6 H24 Mg2 O12 -
- Ca Cl6 H24 Mg2 O12 -
- Ca Cl6 H24 Mg2 O12 -
1
0.166667
Leclaire, A; Borel, M M; Monier, J C
Structure de la tachydrite
Acta Crystallographica B (24,1968-38,1982)
1,980
36
2734
2735
10.1107/S0567740880009806
null
0.021
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Borel, M M; Monier, J C Structure de la tachydrite Acta Crystallographica B (24,1968-38,1982) 36 (1980) 2734-2735
186,542
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-09-13 15:04:05 +0300 (Tue, 13 Sep 2016) $ #$Revision: 186542 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/17/1001774.cif $ #-------------------------------------------------------------------...
1,001,775
3.88
0.004
3.88
0.004
3.88
0.004
90
null
90
null
90
null
58.4
null
null
null
null
null
null
null
null
null
synthetic from melt, and from Sukula, SW Finland
3
P m -3 m
-P 4 2 3
221
Tin tantalate(IV)
Sukulaite
- O3 Sn Ta -
- O3 Sn Ta -
- O3 Sn Ta -
1
0.020833
Gasperin, M
Synthese et identification de deux oxydes doubles de tantale et d'etain.
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,955
240
2340
2342
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gasperin, M Synthese et identification de deux oxydes doubles de tantale et d'etain. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 240 (1955) 2340-2342
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/1/00/17/1001775.cif $ #-------------------------------------------------------------------...
7,052,621
16.5749
0.0019
18.395
0.002
22.912
0.003
90
null
90
null
90
null
6,985.8
1.4
291
2
291
2
null
null
null
null
5
F d d d :2
-F 2uv 2vw
70
- C20 H14 N4 O4 Zn -
- C20 H14 N4 O4 Zn -
- C320 H224 N64 O64 Zn16 -
16
0.5
Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang
Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks
New Journal of Chemistry
2,011
35
4
865
10.1039/c0nj00904k
0.71073
MoKα
0.0359
0.0313
null
null
0.0855
0.0882
null
null
null
null
null
1.079
null
null
has coordinates
Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks New Journal of Chemistry 35(4) (2011) 865
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052621.cif $ #-------------------------------------------------------------------...
1,001,776
10.37
0.05
10.37
0.05
10.37
0.05
90
null
90
null
90
null
1,115.2
null
null
null
null
null
null
null
null
null
heating U Ta2 O8 at 1973 K for 30 min
synthetic by heating U Ta2 O8 at 1973 K for 30 min
3
F d -3 m :1
F 4d 2 3 -1d
227
Uranium ditantalate
Uranmicrolite
- O7 Ta2 U -
- O7 Ta2 U -
- O56 Ta16 U8 -
8
0.041667
Gasperin, M
Contribution a l'etude de quelques oxydes doubles que forme le tantale avec l'etain, l'uranium et le calcium.
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)
1,960
83
1
21
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gasperin, M Contribution a l'etude de quelques oxydes doubles que forme le tantale avec l'etain, l'uranium et le calcium. Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 83 (1960) 1-21
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/1/00/17/1001776.cif $ #-------------------------------------------------------------------...
1,001,777
10.37
null
10.37
null
10.37
null
90
null
90
null
90
null
1,115.2
null
null
null
null
null
null
null
null
null
heating U Ta2 O8 at 1973 K for 30 min
synthetic by heating U Ta2 O8 at 1973 K for 30 min
3
F d -3 m :1
F 4d 2 3 -1d
227
Diuranium ditantalate(III)
Uranmicrolite
- O7 Ta2 U2 -
- O7 Ta2 U2 -
- O56 Ta16 U16 -
8
0.041667
Gasperin, M
Synthese et identification d'un oxyde double de tantale et d'uranium.
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,956
243
1534
1536
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gasperin, M Synthese et identification d'un oxyde double de tantale et d'uranium. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 243 (1956) 1534-1536
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/1/00/17/1001777.cif $ #-------------------------------------------------------------------...
1,001,778
10.578
0.005
10.578
0.005
10.578
0.005
90
null
90
null
90
null
1,183.6
null
null
null
null
null
null
null
null
null
heated to 373 K
synthetic from solution, heated to 373 K
4
F d -3 m :2
-F 4vw 2vw 3
227
Lead diniobate hydrate
Plumbopyrochlore
- H2 Nb2 O7 Pb -
- H2 Nb2 O7 Pb -
- H16 Nb16 O56 Pb8 -
8
0.041667
Groult, D.; Michel, C.; Raveau, B.
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions
Journal of Inorganic and Nuclear Chemistry
1,975
37
2203
2205
10.1016/0022-1902(75)80857-8
null
0.046
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Groult, D.; Michel, C.; Raveau, B. Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205
287,514
2023-11-10
14:18:44
#------------------------------------------------------------------------------ #$Date: 2023-11-10 16:18:34 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287514 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/17/1001778.cif $ #-------------------------------------------------------------------...
1,001,779
10.56
0.005
10.56
0.005
10.56
0.005
90
null
90
null
90
null
1,177.6
null
null
null
null
null
null
null
null
null
heated to 373 K
synthetic from solution, heated to 373 K
4
F d -3 m :2
-F 4vw 2vw 3
227
Lead tantalate hydrate
Plumbomicrolite
- H2 O7 Pb Ta2 -
- H2 O7 Pb Ta2 -
- H16 O56 Pb8 Ta16 -
8
0.041667
Groult, D.; Michel, C.; Raveau, B.
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions
Journal of Inorganic and Nuclear Chemistry
1,975
37
2203
2205
10.1016/0022-1902(75)80857-8
null
0.059
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Groult, D.; Michel, C.; Raveau, B. Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205
287,514
2023-11-10
14:18:45
#------------------------------------------------------------------------------ #$Date: 2023-11-10 16:18:34 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287514 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/17/1001779.cif $ #-------------------------------------------------------------------...
7,052,620
7.492
0.0008
10.6557
0.0012
12.1671
0.0014
90
null
100.442
0.001
90
null
955.24
0.18
291
2
291
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C20 H18 Cu N4 O6 -
- C20 H18 Cu N4 O6 -
- C40 H36 Cu2 N8 O12 -
2
0.5
Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang
Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks
New Journal of Chemistry
2,011
35
4
865
10.1039/c0nj00904k
0.71073
MoKα
0.0234
0.0217
null
null
0.0618
0.0631
null
null
null
null
null
1.077
null
null
has coordinates
Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks New Journal of Chemistry 35(4) (2011) 865
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052620.cif $ #-------------------------------------------------------------------...
1,001,780
8.869
0.002
5.493
0.001
4.849
0.001
90
null
90
null
90
null
236.2
null
null
null
null
null
null
null
null
null
synthetic
3
C m c 21
C 2c -2
36
Disilicon dinitride oxide
Sinoite
- N2 O Si2 -
- N2 O Si2 -
- N8 O4 Si8 -
4
0.5
Billy, M; Labbe, J C; Selvaraj, A; Roult, G
Modifications structurales de l'oxynitrure de silicium sous contraintes thermiques
Materials Research Bulletin
1,980
15
1207
1213
10.1016/0025-5408(80)90022-7
null
0.08
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales de l'oxynitrure de silicium sous contraintes thermiques Materials Research Bulletin 15 (1980) 1207-1213
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/1/00/17/1001780.cif $ #-------------------------------------------------------------------...
1,001,781
8.884
0.002
5.522
0.001
4.873
0.001
90
null
90
null
90
null
239.1
null
null
null
null
null
null
null
null
null
synthetic
3
C m c 21
C 2c -2
36
Disilicon dinitride oxide
Sinoite
- N2 O Si2 -
- N2 O Si2 -
- N8 O4 Si8 -
4
0.5
Billy, M; Labbe, J C; Selvaraj, A; Roult, G
Modifications structurales de l'oxynitrure de silicium sous contraintes thermiques
Materials Research Bulletin
1,980
15
1207
1213
10.1016/0025-5408(80)90022-7
null
0.08
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales de l'oxynitrure de silicium sous contraintes thermiques Materials Research Bulletin 15 (1980) 1207-1213
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/1/00/17/1001781.cif $ #-------------------------------------------------------------------...
1,001,782
10.086
0.003
13.441
0.004
4.703
0.002
90
null
104.27
0.02
90
null
617.9
null
null
null
null
null
null
null
null
null
from Huanuni tin mine, Bolivia
4
C 1 2/m 1
-C 2y
12
Triiron bis(phosphate(V)) octahydrate
Vivianite
- Fe3 H16 O16 P2 -
- Fe3 H16 O16 P2 -
- Fe6 H32 O32 P4 -
2
0.25
Fejdi, P.; Poullen, J. F.; Gasperin, M.
Affinement de la structure de la vivianite Fe3(PO4)2*8H2O Locality: synthetic
Bulletin de Mineralogie
1,980
103
135
138
null
0.041
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fejdi, P.; Poullen, J. F.; Gasperin, M. Affinement de la structure de la vivianite Fe3(PO4)2*8H2O Locality: synthetic Bulletin de Mineralogie 103 (1980) 135-138
287,555
2023-11-12
10:38:25
#------------------------------------------------------------------------------ #$Date: 2023-11-12 12:37:04 +0200 (Sun, 12 Nov 2023) $ #$Revision: 287555 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/17/1001782.cif $ #-------------------------------------------------------------------...
1,001,783
7.84
0.01
9.11
0.01
4.67
0.01
95.04
0.01
96.94
0.01
107.72
0.01
312.6
null
null
null
null
null
null
null
null
null
from Kamysch-Burun, USSR
4
P -1
-P 1
2
Triiron bis(phosphate(V)) octahydrate
Metavivianite
- Fe3 H16 O16 P2 -
- Fe3 H16 O16 P2 -
- Fe3 H16 O16 P2 -
1
0.5
Dormann, J.; Gasperin, M.; Poullen, J. F.
Etude structurale de la sequence d'oxydation de la vivianite Fe3(PO4)2*8(H2O)
Bulletin de Mineralogie
1,982
105
147
160
null
0.133
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Dormann, J.; Gasperin, M.; Poullen, J. F. Etude structurale de la sequence d'oxydation de la vivianite Fe3(PO4)2*8(H2O) Bulletin de Mineralogie 105 (1982) 147-160
287,555
2023-11-12
10:38:26
#------------------------------------------------------------------------------ #$Date: 2023-11-12 12:37:04 +0200 (Sun, 12 Nov 2023) $ #$Revision: 287555 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/17/1001783.cif $ #-------------------------------------------------------------------...
1,001,784
15.435
0.002
5.865
0.001
10.1696
0.0008
90
null
101.829
0.008
90
null
901.1
null
null
null
null
null
null
null
null
null
synthetic
4
C 1 2/c 1
-C 2yc
15
Ammonium hydrogensulfate sulfate(VI)
Letovicite
- H13 N3 O8 S2 -
- H13 N3 O8 S2 -
- H52 N12 O32 S8 -
4
0.5
Leclaire, A; Ledesert, M; Monier, J C; Daoud, A; Damak, M
Structure du disulfate acide de triammonium. Une redetermination. Relations des chaines de liaisons hydrogene avec la morphologie et la conductivite eletrique
Acta Crystallographica B (39,1983-)
1,985
41
209
213
null
0.029
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Ledesert, M; Monier, J C; Daoud, A; Damak, M Structure du disulfate acide de triammonium. Une redetermination. Relations des chaines de liaisons hydrogene avec la morphologie et la conductivite eletrique Acta Crystallographica B (39,1983-) 41 (1985) 209-213
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/1/00/17/1001784.cif $ #-------------------------------------------------------------------...
7,052,619
12.463
0.003
11.681
0.003
12.403
0.003
90
null
102.109
0.003
90
null
1,765.5
0.8
296
2
296
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C38 H30 N8 Ni O4 -
- C38 H30 N8 Ni O4 -
- C76 H60 N16 Ni2 O8 -
2
0.5
Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang
Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks
New Journal of Chemistry
2,011
35
4
865
10.1039/c0nj00904k
0.71073
MoKα
0.0482
0.0358
null
null
0.0875
0.0939
null
null
null
null
null
1.039
null
null
has coordinates,has disorder
Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks New Journal of Chemistry 35(4) (2011) 865
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052619.cif $ #-------------------------------------------------------------------...
1,001,785
8.8709
0.0004
5.4907
0.0002
4.85
0.0002
90
null
90
null
90
null
236.2
null
null
null
null
null
null
null
null
null
synthetic
3
C m c 21
C 2c -2
36
Disilicon dinitride oxide
Sinoite
- N2 O Si2 -
- N2 O Si2 -
- N8 O4 Si8 -
4
0.5
Baraton, M I; Billy, M; Labbe, J C; Quintard, P; Roult, G
L'Oxynitrure de Silicium : Si2 N2 O II. Evolution Structurale et Endommagement par Irradiation aux Neutrons Rapides
Materials Research Bulletin
1,988
23
1087
1099
10.1016/0025-5408(88)90198-5
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Baraton, M I; Billy, M; Labbe, J C; Quintard, P; Roult, G L'Oxynitrure de Silicium : Si2 N2 O II. Evolution Structurale et Endommagement par Irradiation aux Neutrons Rapides Materials Research Bulletin 23 (1988) 1087-1099
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/1/00/17/1001785.cif $ #-------------------------------------------------------------------...
1,001,786
8.8911
0.0002
5.4781
0.0003
4.8302
0.0002
90
null
90
null
90
null
235.3
null
null
null
null
null
null
null
null
null
synthetic
3
C m c 21
C 2c -2
36
Disilicon dinitride oxide - irradiated sample
Sinoite irradiated
- N2 O Si2 -
- N2 O Si2 -
- N8 O4 Si8 -
4
0.5
Baraton, M I; Billy, M; Labbe, J C; Quintard, P; Roult, G
L'Oxynitrure de Silicium : Si2 N2 O II. Evolution Structurale et Endommagement par Irradiation aux Neutrons Rapides
Materials Research Bulletin
1,988
23
1087
1099
10.1016/0025-5408(88)90198-5
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Baraton, M I; Billy, M; Labbe, J C; Quintard, P; Roult, G L'Oxynitrure de Silicium : Si2 N2 O II. Evolution Structurale et Endommagement par Irradiation aux Neutrons Rapides Materials Research Bulletin 23 (1988) 1087-1099
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/1/00/17/1001786.cif $ #-------------------------------------------------------------------...
1,001,787
3.589
0.008
3.589
0.008
4.911
0.014
90
null
90
null
120
null
54.8
null
null
null
null
null
null
null
null
null
3
P -3 m 1
-P 3 2"
164
Calcium hydroxide
Portlandite
- Ca H2 O2 -
- Ca H1.998 O2 -
- Ca H1.998 O2 -
1
0.083333
Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C
Hydrogen thermal motion in calcium hydroxide: Ca (O H)2
Acta Crystallographica B (39,1983-)
1,993
49
812
817
null
0.025
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 Acta Crystallographica B (39,1983-) 49 (1993) 812-817
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/1/00/17/1001787.cif $ #-------------------------------------------------------------------...
1,001,788
3.589
0.008
3.589
0.008
4.911
0.014
90
null
90
null
120
null
54.8
null
null
null
null
null
null
null
null
null
synthetic by slow diffusion
3
P -3 m 1
-P 3 2"
164
Calcium hydroxide
Portlandite
- Ca H2 O2 -
- Ca H1.998 O2 -
- Ca H1.998 O2 -
1
0.083333
Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C
Hydrogen thermal motion in calcium hydroxide: Ca (O H)2
Acta Crystallographica B (39,1983-)
1,993
49
812
817
null
0.018
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 Acta Crystallographica B (39,1983-) 49 (1993) 812-817
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/1/00/17/1001788.cif $ #-------------------------------------------------------------------...
1,001,789
3.832
0.0001
3.832
0.0001
16.41119
0.0005
90
null
90
null
90
null
241
null
null
null
null
null
null
null
null
null
7
P 4/m m m
-P 4 2
123
Thallium chromium strontium copper carbonate nitrate oxide (0.85/0.15/4/2/0.5/0.5/7)
- C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 -
- C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 -
- C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 -
1
0.0625
Barnabe, A; Letouze, F; Pelloquin, D; Maignan, A; Hervieu, M; Raveau, B
A new superconducting oxycarbonitrate: (Tl5/6 Cr1/6) Sr4 Cu2 (C O3)1/2 (N O3)1/2 O7
Chemistry of Materials (1,1989-
1,997
9
2205
2211
10.1021/cm970370v
null
0.052
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Barnabe, A; Letouze, F; Pelloquin, D; Maignan, A; Hervieu, M; Raveau, B A new superconducting oxycarbonitrate: (Tl5/6 Cr1/6) Sr4 Cu2 (C O3)1/2 (N O3)1/2 O7 Chemistry of Materials (1,1989- 9 (1997) 2205-2211
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/1/00/17/1001789.cif $ #-------------------------------------------------------------------...
7,052,618
6.6139
0.0007
6.9872
0.0007
10.4414
0.0011
79.736
0.001
82.999
0.001
75.092
0.001
457.35
0.08
296
2
296
2
null
null
null
null
5
P -1
-P 1
2
- C20 H18 N4 Ni O6 -
- C20 H18 N4 Ni O6 -
- C20 H18 N4 Ni O6 -
1
0.5
Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang
Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks
New Journal of Chemistry
2,011
35
4
865
10.1039/c0nj00904k
0.71073
MoKα
0.0327
0.0292
null
null
0.067
0.0689
null
null
null
null
null
1.077
null
null
has coordinates
Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks New Journal of Chemistry 35(4) (2011) 865
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052618.cif $ #-------------------------------------------------------------------...
1,001,790
3.88416
0.00003
3.88416
0.00003
12.543
0.0002
90
null
90
null
90
null
189.2
null
null
null
null
null
null
null
null
null
6
P 4/m m m
-P 4 2
123
Thallium barium calcium praseodymium copper oxide (1/2/0.42/0.58/2/7)
- Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl -
- Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl -
- Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl -
1
0.0625
Sundaresan, A; Michel, C; Raveau, B; Huong, P V
Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies
Chemistry of Materials (1,1989-
1,997
9
2212
2217
10.1021/cm970377c
null
0.068
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Sundaresan, A; Michel, C; Raveau, B; Huong, P V Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies Chemistry of Materials (1,1989- 9 (1997) 2212-2217
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/1/00/17/1001790.cif $ #-------------------------------------------------------------------...
1,001,791
3.85262
0.00004
3.85262
0.00004
12.2813
0.0002
90
null
90
null
90
null
182.3
null
null
null
null
null
null
null
null
null
7
P 4/m m m
-P 4 2
123
Thallium barium strontium calcium praseodymium copper oxide (0.96/1/1/0.43/0.57/2/6.98)
- Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 -
- Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 -
- Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 -
1
0.0625
Sundaresan, A; Michel, C; Raveau, B; Huong, P V
Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies
Chemistry of Materials (1,1989-
1,997
9
2212
2217
10.1021/cm970377c
null
0.07
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Sundaresan, A; Michel, C; Raveau, B; Huong, P V Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies Chemistry of Materials (1,1989- 9 (1997) 2212-2217
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/1/00/17/1001791.cif $ #-------------------------------------------------------------------...
1,001,792
3.8262
0.00008
3.8262
0.00008
12.1262
0.0003
90
null
90
null
90
null
177.5
null
null
null
null
null
null
null
null
null
6
P 4/m m m
-P 4 2
123
Thallium strontium calcium praseodymium copper oxide (0.94/2/0.48/0.52/2/6.96)
- Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 -
- Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 -
- Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 -
1
0.0625
Sundaresan, A; Michel, C; Raveau, B; Huong, P V
Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies
Chemistry of Materials (1,1989-
1,997
9
2212
2217
10.1021/cm970377c
null
0.06
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Sundaresan, A; Michel, C; Raveau, B; Huong, P V Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies Chemistry of Materials (1,1989- 9 (1997) 2212-2217
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/1/00/17/1001792.cif $ #-------------------------------------------------------------------...
7,052,617
7.096
0.0012
12.071
0.002
22.767
0.004
90
null
90.338
0.003
90
null
1,950.1
0.6
295
2
295
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C20 H14 N4 O4 Zn -
- C20 H14 N4 O4 Zn -
- C80 H56 N16 O16 Zn4 -
4
1
Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang
Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks
New Journal of Chemistry
2,011
35
4
865
10.1039/c0nj00904k
0.71073
MoKα
0.1243
0.0666
null
null
0.1206
0.1415
null
null
null
null
null
1.036
null
null
has coordinates
Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks New Journal of Chemistry 35(4) (2011) 865
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052617.cif $ #-------------------------------------------------------------------...
1,001,793
3.8246
0.0001
3.8246
0.0001
16.5069
0.0004
90
null
90
null
90
null
241.5
null
null
null
null
null
null
null
null
null
6
P 4/m m m
-P 4 2
123
Thallium strontium copper iron(III) carbonate oxide (0.85/4/1.85/0.30/1/7)
- C Cu1.85 Fe0.3 O10 Sr4 Tl0.85 -
- C Cu1.85 Fe0.3 O10 Sr4 Tl0.85 -
- C Cu1.85 Fe0.3 O10 Sr4 Tl0.85 -
1
0.0625
Letouze, F; Martin, C; Hervieu, M; Nguyen, N; Maignan, A; Michel, C; Raveau, B
Stabilisation of a thallium oxycarbonate by trivalent iron: Tl0.85 Sr4 Cu1.85 Fe0.30 (C O3) O7
European Journal of Solid State Inorganic Chemistry
1,997
34
983
990
null
0.063
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Letouze, F; Martin, C; Hervieu, M; Nguyen, N; Maignan, A; Michel, C; Raveau, B Stabilisation of a thallium oxycarbonate by trivalent iron: Tl0.85 Sr4 Cu1.85 Fe0.30 (C O3) O7 European Journal of Solid State Inorganic Chemistry 34 (1997) 983-990
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/1/00/17/1001793.cif $ #-------------------------------------------------------------------...
1,001,794
3.8687
0.0002
3.8687
0.0002
12.496
0.001
90
null
90
null
90
null
187
null
null
null
null
null
null
null
null
null
7
P 4/m m m
-P 4 2
123
Mercury vanadium barium strontium calcium copper oxide (0.69/0.31/1.95/0.05/1/2/7)
- Ba1.95 Ca Cu2 Hg0.69 O7 Sr0.05 V0.31 -
- Ba1.95 Ca Cu2 Hg0.69 O7 Sr0.05 V0.31 -
- Ba1.95 Ca Cu2 Hg0.69 O7 Sr0.05 V0.31 -
1
0.0625
Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B
Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d
European Journal of Solid State Inorganic Chemistry
1,997
34
1063
1074
null
0.065
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d European Journal of Solid State Inorganic Chemistry 34 (1997) 1063-1074
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/1/00/17/1001794.cif $ #-------------------------------------------------------------------...
1,001,795
3.8643
0.0003
3.8643
0.0003
12.445
0.001
90
null
90
null
90
null
185.8
null
null
null
null
null
null
null
null
null
7
P 4/m m m
-P 4 2
123
Mercury vanadium barium strontium calcium copper oxide (0.67/0.33/1.70/0.30/1/2/7)
- Ba1.7 Ca Cu2 Hg0.67 O7 Sr0.3 V0.33 -
- Ba1.7 Ca Cu2 Hg0.67 O7 Sr0.3 V0.33 -
- Ba1.7 Ca Cu2 Hg0.67 O7 Sr0.3 V0.33 -
1
0.0625
Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B
Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d
European Journal of Solid State Inorganic Chemistry
1,997
34
1063
1074
null
0.058
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d European Journal of Solid State Inorganic Chemistry 34 (1997) 1063-1074
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/1/00/17/1001795.cif $ #-------------------------------------------------------------------...
7,052,616
5.0443
0.0006
32.161
0.004
6.3234
0.0008
90
null
106.293
0.001
90
null
984.6
0.2
292
2
292
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C20 H18 Cu N4 O6 -
- C20 H18 Cu N4 O6 -
- C40 H36 Cu2 N8 O12 -
2
0.5
Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang
Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks
New Journal of Chemistry
2,011
35
4
865
10.1039/c0nj00904k
0.71073
MoKα
0.0465
0.0367
null
null
0.0796
0.0838
null
null
null
null
null
1.078
null
null
has coordinates
Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks New Journal of Chemistry 35(4) (2011) 865
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052616.cif $ #-------------------------------------------------------------------...
1,001,796
3.8628
0.0003
3.8628
0.0003
12.407
0.001
90
null
90
null
90
null
185.1
null
null
null
null
null
null
null
null
null
7
P 4/m m m
-P 4 2
123
Mercury vanadium barium strontium calcium copper oxide (0.69/0.31/1.59/0.51/0.90/2/7)
- Ba1.59 Ca0.9 Cu2 Hg0.69 O7 Sr0.51 V0.31 -
- Ba1.59 Ca0.9 Cu2 Hg0.69 O7 Sr0.51 V0.31 -
- Ba1.59 Ca0.9 Cu2 Hg0.69 O7 Sr0.51 V0.31 -
1
0.0625
Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B
Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d
European Journal of Solid State Inorganic Chemistry
1,997
34
1063
1074
null
0.082
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d European Journal of Solid State Inorganic Chemistry 34 (1997) 1063-1074
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/1/00/17/1001796.cif $ #-------------------------------------------------------------------...
1,001,797
3.8601
0.0003
3.8601
0.0003
12.35
0.001
90
null
90
null
90
null
184
null
null
null
null
null
null
null
null
null
7
P 4/m m m
-P 4 2
123
Mercury vanadium barium strontium calcium copper oxide (0.69/0.31/1.33/0.80/0.87/2/7)
- Ba1.33 Ca0.87 Cu2 Hg0.69 O7 Sr0.8 V0.31 -
- Ba1.33 Ca0.87 Cu2 Hg0.69 O7 Sr0.8 V0.31 -
- Ba1.33 Ca0.87 Cu2 Hg0.69 O7 Sr0.8 V0.31 -
1
0.0625
Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B
Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d
European Journal of Solid State Inorganic Chemistry
1,997
34
1063
1074
null
0.072
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d European Journal of Solid State Inorganic Chemistry 34 (1997) 1063-1074
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/1/00/17/1001797.cif $ #-------------------------------------------------------------------...
1,001,798
3.8575
0.0004
3.8575
0.0004
12.295
0.001
90
null
90
null
90
null
183
null
null
null
null
null
null
null
null
null
7
P 4/m m m
-P 4 2
123
Mercury vanadium barium strontium calcium copper oxide (0.69/0.31/1.13/1.07/0.80/2/7)
- Ba1.13 Ca0.8 Cu2 Hg0.69 O7 Sr1.07 V0.31 -
- Ba1.13 Ca0.8 Cu2 Hg0.69 O7 Sr1.07 V0.31 -
- Ba1.13 Ca0.8 Cu2 Hg0.69 O7 Sr1.07 V0.31 -
1
0.0625
Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B
Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d
European Journal of Solid State Inorganic Chemistry
1,997
34
1063
1074
null
0.071
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d European Journal of Solid State Inorganic Chemistry 34 (1997) 1063-1074
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/1/00/17/1001798.cif $ #-------------------------------------------------------------------...
7,052,615
4.8445
0.0009
32.906
0.006
6.2836
0.0011
90
null
105.406
0.002
90
null
965.7
0.3
292
2
292
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C20 H18 N4 Ni O6 -
- C20 H18 N4 Ni O6 -
- C40 H36 N8 Ni2 O12 -
2
0.5
Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang
Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks
New Journal of Chemistry
2,011
35
4
865
10.1039/c0nj00904k
0.71073
MoKα
0.0642
0.0463
null
null
0.1088
0.1169
null
null
null
null
null
1.056
null
null
has coordinates
Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks New Journal of Chemistry 35(4) (2011) 865
301,851
2025-08-21
20:32:41
#------------------------------------------------------------------------------ #$Date: 2025-08-21 23:04:39 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301851 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052615.cif $ #-------------------------------------------------------------------...
1,001,799
5.026
0.001
5.078
0.001
5.867
0.001
90
null
90
null
91.47
0.01
149.7
null
null
null
null
null
null
null
null
null
3
P 1 1 2/b
-P 2b
13
Cadmium tungstate
- Cd O4 W -
- Cd O4 W -
- Cd2 O8 W2 -
2
0.5
Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P
Vibrational and XRD study of the system Cd W O4 - Cd Mo O4
Journal of Physical Chemistry
1,997
101
4358
4369
10.1021/jp963008x
null
0.054
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P Vibrational and XRD study of the system Cd W O4 - Cd Mo O4 Journal of Physical Chemistry 101 (1997) 4358-4369
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/1/00/17/1001799.cif $ #-------------------------------------------------------------------...
1,001,800
5.156
0.001
5.156
0.001
11.196
0.001
90
null
90
null
90
null
297.6
null
null
null
null
null
null
null
null
null
3
I 41/a :2
-I 4ad
88
Cadmium molybdate
- Cd Mo O4 -
- Cd Mo O4 -
- Cd4 Mo4 O16 -
4
0.25
Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P
Vibrational and XRD study of the system Cd W O4 - Cd Mo O4
Journal of Physical Chemistry
1,997
101
4358
4369
10.1021/jp963008x
null
0.067
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P Vibrational and XRD study of the system Cd W O4 - Cd Mo O4 Journal of Physical Chemistry 101 (1997) 4358-4369
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/1/00/18/1001800.cif $ #-------------------------------------------------------------------...
1,001,801
5.031
0.001
5.074
0.001
5.858
0.001
90
null
90
null
91.48
0.02
149.5
null
null
null
null
null
null
null
null
null
4
P 1 1 2/b
-P 2b
13
Cadmium molybdenum tungsten oxide (1/0.25/0.75/4)
- Cd Mo0.25 O4 W0.75 -
- Cd Mo0.25 O4 W0.75 -
- Cd2 Mo0.5 O8 W1.5 -
2
0.5
Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P
Vibrational and XRD study of the system Cd W O4 - Cd Mo O4
Journal of Physical Chemistry
1,997
101
4358
4369
10.1021/jp963008x
null
0.067
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P Vibrational and XRD study of the system Cd W O4 - Cd Mo O4 Journal of Physical Chemistry 101 (1997) 4358-4369
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/1/00/18/1001801.cif $ #-------------------------------------------------------------------...
1,001,802
5.158
0.001
5.158
0.001
11.187
0.001
90
null
90
null
90
null
297.6
null
null
null
null
null
null
null
null
null
4
I 41/a :2
-I 4ad
88
Cadmium molybdenum tungsten oxide (1/0.75/0.25/4)
- Cd Mo0.75 O4 W0.25 -
- Cd Mo0.75 O4 W0.25 -
- Cd4 Mo3 O16 W -
4
0.25
Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P
Vibrational and XRD study of the system Cd W O4 - Cd Mo O4
Journal of Physical Chemistry
1,997
101
4358
4369
10.1021/jp963008x
null
0.039
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P Vibrational and XRD study of the system Cd W O4 - Cd Mo O4 Journal of Physical Chemistry 101 (1997) 4358-4369
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/1/00/18/1001802.cif $ #-------------------------------------------------------------------...
1,001,803
3.7536
0.0002
30.631
0.002
9.219
0.001
90
null
90
null
90
null
1,060
null
null
null
null
null
null
null
null
null
5
A 2 m m
A -2 2
35
Thallium barium strontium copper oxide (5/3/5/3/19)
- Ba3 Cu3 O19 Sr5 Tl5 -
- Ba3 Cu3 O19 Sr5 Tl5 -
- Ba6 Cu6 O38 Sr10 Tl10 -
2
0.25
Letouze, F; Martin, C; Hervieu, M; Michel, C; Maignan, A; Raveau, B
A new structure related to the layered cuprates: the "1201" shear-like phase Tl5 Ba3 Sr5 Cu3 O19, third member of the series (Tl A2 Cu O5)m . (Tl2 A2 O4)
Journal of Solid State Chemistry
1,997
128
150
155
10.1006/jssc.1996.7201
null
0.097
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Letouze, F; Martin, C; Hervieu, M; Michel, C; Maignan, A; Raveau, B A new structure related to the layered cuprates: the "1201" shear-like phase Tl5 Ba3 Sr5 Cu3 O19, third member of the series (Tl A2 Cu O5)m . (Tl2 A2 O4) Journal of Solid State Chemistry 128 (1997) 150-155
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/1/00/18/1001803.cif $ #-------------------------------------------------------------------...
1,001,804
7.827
0.001
12.538
0.001
7.833
0.001
90
null
92.36
0.01
90
null
768
null
null
null
null
null
null
null
null
null
4
P 1 21/m 1
-P 2yb
11
Molybdenum tungsten oxide phosphate(V) (1.04/0.96/3/2)
- Mo1.04 O11 P2 W0.96 -
- Mo1.04 O11 P2 W0.96 -
- Mo4.16 O44 P8 W3.84 -
4
1
Leclaire, A; Borel, M M; Chardon, J; Raveau, B
The molybdenotungsten monophosphate Mo W O3 (P O4)2 : an original three- dimensional framework built up of "M P O8" chains (M = Mo, W)
Journal of Solid State Chemistry
1,997
128
191
196
10.1006/jssc.1996.7182
null
0.027
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Borel, M M; Chardon, J; Raveau, B The molybdenotungsten monophosphate Mo W O3 (P O4)2 : an original three- dimensional framework built up of "M P O8" chains (M = Mo, W) Journal of Solid State Chemistry 128 (1997) 191-196
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/1/00/18/1001804.cif $ #-------------------------------------------------------------------...
1,001,805
8.142
0.001
6.361
0.001
7.728
0.001
90
null
102.45
0.01
90
null
390.8
null
null
null
null
null
null
null
null
null
5
C 1 2/m 1
-C 2y
12
Lithium molybdenum tungsten oxide phosphate(V) (1/0.68/1.32/3/2)
- Li Mo0.68 O11 P2 W1.32 -
- Li Mo0.68 O11 P2 W1.32 -
- Li2 Mo1.36 O22 P4 W2.64 -
2
0.25
Leclaire, A; Borel, M M; Chardon, J; Raveau, B
A mixed valent molybdenotungsten monophosphate with an original intersecting tunnel structure: Li (Mo, W)2 O3 (P O4)2
Journal of Solid State Chemistry
1,997
128
215
219
10.1006/jssc.1996.7190
null
0.031
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Borel, M M; Chardon, J; Raveau, B A mixed valent molybdenotungsten monophosphate with an original intersecting tunnel structure: Li (Mo, W)2 O3 (P O4)2 Journal of Solid State Chemistry 128 (1997) 215-219
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/1/00/18/1001805.cif $ #-------------------------------------------------------------------...
7,052,614
10.3877
0.0011
10.6229
0.0012
23.554
0.003
96.562
0.002
98.759
0.002
113.605
0.002
2,309.4
0.5
170
2
170
2
null
null
null
null
6
P -1
-P 1
2
- C36 H45 N4 O12.5 S4 Zn2 -
- C36 H36 N4 O12.5 S4 Zn2 -
- C72 H72 N8 O25 S8 Zn4 -
2
1
Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee
Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridyl ligands
New Journal of Chemistry
2,011
35
4
833
10.1039/c0nj00869a
0.71073
MoKα
0.1458
0.072
null
null
0.1912
0.2036
null
null
null
null
null
0.883
null
null
has coordinates
Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridy...
176,453
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052614.cif $ #-------------------------------------------------------------------...
1,001,806
9.953
0.002
9.953
0.002
26.41299
0.004
90
null
90
null
90
null
2,616.5
null
null
null
null
null
null
null
null
null
4
I -4 2 d
I -4 2bw
122
Caesium hexamolybdenum decaoxide dimolybdate tetrakis(phosphate(V))
- Cs Mo8 O33 P4 -
- Cs Mo8 O33 P4 -
- Cs4 Mo32 O132 P16 -
4
0.25
Hoareau, T; Leclaire, A; Borel, M M; Provost, J; Raveau, B
A mixed valent molybdenum monophosphate with an original cage structure Cs Mo6 O10 (Mo2 O7) (P O4)4
Journal of Solid State Chemistry
1,997
128
233
240
10.1006/jssc.1996.7195
null
0.041
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hoareau, T; Leclaire, A; Borel, M M; Provost, J; Raveau, B A mixed valent molybdenum monophosphate with an original cage structure Cs Mo6 O10 (Mo2 O7) (P O4)4 Journal of Solid State Chemistry 128 (1997) 233-240
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/1/00/18/1001806.cif $ #-------------------------------------------------------------------...
1,001,807
15.668
0.001
8.135
0.001
17.74699
0.002
90
null
107.994
0.007
90
null
2,151.4
null
null
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
Dilithium sodium bis(oxomolybdenum(V)) tris(phosphate(V))
- Li2 Mo2 Na O14 P3 -
- Li2 Mo2 Na O14 P3 -
- Li16 Mo16 Na8 O112 P24 -
8
1
Ledain, S; Leclaire, A; Borel, M M; Raveau, B
A Mo(V) monophosphate with an original tridimensional framework: Li2 Na (Mo O)2 (P O4)3
Journal of Solid State Chemistry
1,997
129
298
302
10.1006/jssc.1996.7255
null
0.034
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ledain, S; Leclaire, A; Borel, M M; Raveau, B A Mo(V) monophosphate with an original tridimensional framework: Li2 Na (Mo O)2 (P O4)3 Journal of Solid State Chemistry 129 (1997) 298-302
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/1/00/18/1001807.cif $ #-------------------------------------------------------------------...
1,001,808
10.0344
0.0009
14.43
0.001
8.1599
0.0005
90
null
90.78
0.006
90
null
1,181.4
null
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
Tellurium molybdenum oxide (1/5/16)
- Mo5 O16 Te -
- Mo5 O16 Te -
- Mo20 O64 Te4 -
4
1
Vallar, S; Goreaud, M
Structure cristalline d'une forme monoclinique de Te Mo5 O16, oxyde a valence mixte conducteur bidimensionnel
Journal of Solid State Chemistry
1,997
129
303
307
10.1006/jssc.1996.7256
null
0.029
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Vallar, S; Goreaud, M Structure cristalline d'une forme monoclinique de Te Mo5 O16, oxyde a valence mixte conducteur bidimensionnel Journal of Solid State Chemistry 129 (1997) 303-307
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/1/00/18/1001808.cif $ #-------------------------------------------------------------------...
1,001,809
10.756
0.002
9.493
0.001
15.478
0.003
90
null
108.99
0.02
90
null
1,494.4
null
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
Rubidium molybdenum tungsten oxide phosphate(V) (2/1.98/1.02/5/3)
- Mo1.983 O17 P3 Rb2 W1.017 -
- Mo1.983 O17 P3 Rb2 W1.017 -
- Mo7.932 O68 P12 Rb8 W4.068 -
4
1
Leclaire, A; Borel, M M; Chardon, J; Raveau, B
Mixed valent molybdenotungsten monophosphate Rb2 Mo2 W O5 (P O4)3: an interconnected tunnel structure
Journal of Solid State Chemistry
1,997
130
48
53
10.1006/jssc.1997.7273
null
0.046
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Borel, M M; Chardon, J; Raveau, B Mixed valent molybdenotungsten monophosphate Rb2 Mo2 W O5 (P O4)3: an interconnected tunnel structure Journal of Solid State Chemistry 130 (1997) 48-53
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/1/00/18/1001809.cif $ #-------------------------------------------------------------------...
1,001,810
18.17299
0.002
18.17299
0.002
2.836
0.001
90
null
90
null
90
null
936.6
null
null
null
null
null
null
null
null
null
3
I 4/m
-I 4
87
Barium manganese oxide (6.3/24/48)
- Ba6.3 Mn24 O48 -
- Ba6.3 Mn24 O48 -
- Ba6.3 Mn24 O48 -
1
0.0625
Boullay, Ph; Hervieu, M; Raveau, B
A new manganite with an original composite tunnel structure: Ba6 Mn24 O48
Journal of Solid State Chemistry
1,997
132
239
248
10.1006/jssc.1997.7412
null
0.114
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Boullay, Ph; Hervieu, M; Raveau, B A new manganite with an original composite tunnel structure: Ba6 Mn24 O48 Journal of Solid State Chemistry 132 (1997) 239-248
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/1/00/18/1001810.cif $ #-------------------------------------------------------------------...