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sgHall
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mineral
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calcformula
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1,000,336
4.6861
0.0001
4.6861
0.0001
8.8707
0.0003
90
null
90
null
90
null
194.8
null
null
null
null
null
null
null
null
null
5
P 42 n m
P 4n -2n
102
Lithium hydrogen titanium tellurium (.3/1.7/1/1/6)
- H1.68 Li0.32 O6 Te Ti -
- H0.42 Li0.08 O6 Te Ti -
- H0.84 Li0.16 O12 Te2 Ti2 -
2
0.25
Crosnier, M P; Delarue, E; Choisnet, J; Fourquet, J L
Li^+^-H^+^ exchange on Li~2~TiTeO~6~
European Journal of Solid State Inorganic Chemistry
1,992
39
321
332
null
0.026
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Crosnier, M P; Delarue, E; Choisnet, J; Fourquet, J L Li^+^-H^+^ exchange on Li~2~TiTeO~6~ European Journal of Solid State Inorganic Chemistry 39 (1992) 321-332
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/1/00/03/1000336.cif $ #-------------------------------------------------------------------...
1,000,337
14.693
0.003
5.8551
0.0004
7.922
0.002
90
null
114.11
0.02
90
null
622.1
null
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
Disodium palladium diphosphate
- Na2 O7 P2 Pd -
- Na2 O7 P2 Pd -
- Na8 O28 P8 Pd4 -
4
0.5
Laligant, Y
Structure determination of Na~2~PdP~2~O~7~ from X-ray powder diffraction
European Journal of Solid State Inorganic Chemistry
1,992
29
83
94
null
0.02
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laligant, Y Structure determination of Na~2~PdP~2~O~7~ from X-ray powder diffraction European Journal of Solid State Inorganic Chemistry 29 (1992) 83-94
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/1/00/03/1000337.cif $ #-------------------------------------------------------------------...
1,000,338
7.262
0.004
20.668
0.008
5.431
0.002
90
null
90.76
0.01
90
null
815.1
null
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
Disodium tribarium tetrachromium fluoride
- Ba3 Cr4 F20 Na2 -
- Ba3 Cr4 F20 Na2 -
- Ba6 Cr8 F40 Na4 -
2
0.5
Abjean, P; Leblanc, M; De, Pape R; Ferey, G
Structure of Na~2~ Ba~3~ Cr~4~ F~20~
Acta Crystallographica C (39,1983-)
1,985
41
1696
1698
null
0.027
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Abjean, P; Leblanc, M; De, Pape R; Ferey, G Structure of Na~2~ Ba~3~ Cr~4~ F~20~ Acta Crystallographica C (39,1983-) 41 (1985) 1696-1698
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/1/00/03/1000338.cif $ #-------------------------------------------------------------------...
1,000,339
8.7404
0.0008
8.7404
0.0008
8.136
0.001
90
null
90
null
90
null
621.5
null
null
null
null
null
null
null
null
null
4
P 4 b m
P 4 -2ab
100
Dipotassium bis(oxoniobium) cyclo-tetrasilicate
- K2 Nb2 O14 Si4 -
- K2 Nb2 O14 Si4 -
- K4 Nb4 O28 Si8 -
2
0.25
Crosnier, M P; Guyomard, D; Verbaere, A; Piffard, Y; Tournoux, M
The potassium niobyl cyclotetrasilicate K~2~(NbO)~2~Si~4~O~12~
Journal of Solid State Chemistry
1,992
98
128
132
10.1016/0022-4596(92)90077-9
null
0.021
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Crosnier, M P; Guyomard, D; Verbaere, A; Piffard, Y; Tournoux, M The potassium niobyl cyclotetrasilicate K~2~(NbO)~2~Si~4~O~12~ Journal of Solid State Chemistry 98 (1992) 128-132
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/1/00/03/1000339.cif $ #-------------------------------------------------------------------...
7,206,022
17.4504
0.0006
17.4504
0.0006
27.9996
0.0014
90
null
90
null
120
null
7,384
0.5
120
2
120
2
null
null
null
null
3
P 61
P 61
169
- C56 H66 O9 -
- C56 H66 O9 -
- C336 H396 O54 -
6
1
Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald
Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies
CrystEngComm
2,011
13
12
3979
10.1039/c1ce05234a
1.54184
CuKα
0.0294
0.0279
null
null
0.0764
0.077
null
null
null
null
null
1.061
null
null
has coordinates,has disorder
Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies CrystEngComm 13(12) (2011) 3979
301,863
2025-08-22
13:07:26
#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/60/7206022.cif $ #-------------------------------------------------------------------...
1,000,340
19.959
0.002
7.45
0.001
29.291
0.006
90
null
111.244
0.009
90
null
4,059.4
null
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
Trisodium tetrastrontium fluoropentachromate(III)
- Cr5 F26 Na3 Sr4 -
- Cr5 F26 Na3 Sr4 -
- Cr40 F208 Na24 Sr32 -
8
1
Hemon, A; Courbion, G
New pentamers of octahedra: structural and magnetic characterization of Na~3~Sr~4~Cr~5~F~26~
Journal of Solid State Chemistry
1,992
98
358
365
10.1016/S0022-4596(05)80246-4
null
0.034
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hemon, A; Courbion, G New pentamers of octahedra: structural and magnetic characterization of Na~3~Sr~4~Cr~5~F~26~ Journal of Solid State Chemistry 98 (1992) 358-365
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/1/00/03/1000340.cif $ #-------------------------------------------------------------------...
1,000,341
11.446
0.002
9.304
0.002
7.252
0.002
90
null
126.67
0.02
90
null
619.4
null
null
null
null
null
null
null
null
null
4
C 1 c 1
C -2yc
9
Barium hexafluorooxotitanate
- Ba2 F6 O Ti -
- Ba2 F6 O Ti -
- Ba8 F24 O4 Ti4 -
4
1
Crosnier, M P; Fourquet, J L
Synthesis and crystal structure of a new acentric oxyfluoride: Ba~2~TiOF~6~
Journal of Solid State Chemistry
1,992
99
355
363
10.1016/0022-4596(92)90324-O
null
0.018
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Crosnier, M P; Fourquet, J L Synthesis and crystal structure of a new acentric oxyfluoride: Ba~2~TiOF~6~ Journal of Solid State Chemistry 99 (1992) 355-363
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/1/00/03/1000341.cif $ #-------------------------------------------------------------------...
1,000,342
9.9259
0.0005
9.9259
0.0005
9.9259
0.0005
90
null
90
null
90
null
977.9
null
null
null
null
null
null
null
null
null
5
P a -3
-P 2ac 2ab 3
205
Barium niobium fluoride hydroxide (1/1/5.5/1.5)
- Ba F5.5 H1.5 Nb O1.5 -
- Ba F5.4999 H1.7501 Nb O1.5001 -
- Ba8 F43.9992 H14.0008 Nb8 O12.0008 -
8
0.333333
Crosnier-Lopez, M P; Duroy, H; Fourquet, J L
BaNbF~7-x~(OH)~x~: preparation and crystal structure
European Journal of Solid State Inorganic Chemistry
1,993
30
549
556
null
0.02
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Crosnier-Lopez, M P; Duroy, H; Fourquet, J L BaNbF~7-x~(OH)~x~: preparation and crystal structure European Journal of Solid State Inorganic Chemistry 30 (1993) 549-556
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/1/00/03/1000342.cif $ #-------------------------------------------------------------------...
1,000,343
5.083
0.001
5.083
0.001
23.034
0.005
90
null
90
null
120
null
515.4
null
null
null
null
null
null
null
null
null
5
P 63/m m c
-P 6c 2c
194
Trisodium dilanthanum tetracarbonate fluoride
- C4 F La2 Na3 O12 -
- C4 F La2 Na3 O12 -
- C8 F2 La4 Na6 O24 -
2
0.083333
Mercier, N; Taulelle, F; Leblanc, M
Growth, structure, NMR characterization of a new fluorocarbonate Na~3~La~2~(CO~3~)~4~F
European Journal of Solid State Inorganic Chemistry
1,993
30
609
617
null
0.021
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mercier, N; Taulelle, F; Leblanc, M Growth, structure, NMR characterization of a new fluorocarbonate Na~3~La~2~(CO~3~)~4~F European Journal of Solid State Inorganic Chemistry 30 (1993) 609-617
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/1/00/03/1000343.cif $ #-------------------------------------------------------------------...
1,000,344
7.3177
0.0011
7.3177
0.0011
15.289
0.003
90
null
90
null
90
null
818.7
null
null
null
null
null
null
null
null
null
5
I 41/a m d :2
-I 4bd 2
141
Tetraamminepalladium chromate
- Cr H12 N4 O4 Pd -
- Cr H12 N4 O4 Pd -
- Cr4 H48 N16 O16 Pd4 -
4
0.125
Laligant, Y
On the first palladium chromate: crystal structure of Pd(NH~3~)~4~(CrO~4~)
European Journal of Solid State Inorganic Chemistry
1,993
30
681
688
null
0.03
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laligant, Y On the first palladium chromate: crystal structure of Pd(NH~3~)~4~(CrO~4~) European Journal of Solid State Inorganic Chemistry 30 (1993) 681-688
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/1/00/03/1000344.cif $ #-------------------------------------------------------------------...
7,206,021
33.6784
0.0009
25.4699
0.0007
19.5175
0.0005
90
null
90
null
90
null
16,741.8
0.8
100
2
100
2
null
null
null
null
3
P n n a
-P 2a 2bc
52
- C60 H72 O8 -
- C60 H68 O8 -
- C720 H816 O96 -
12
1.5
Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald
Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies
CrystEngComm
2,011
13
12
3979
10.1039/c1ce05234a
1.54178
CuKα
0.0817
0.065
null
null
0.1726
0.1841
null
null
null
null
null
1.042
null
null
has coordinates,has disorder
Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies CrystEngComm 13(12) (2011) 3979
180,391
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:23:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180391 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/60/7206021.cif $ #-------------------------------------------------------------------...
1,000,345
9.945
0.004
10.277
0.001
9.673
0.001
90
null
90
null
90
null
988.6
null
null
null
null
null
null
null
null
null
4
P n n m
-P 2 2n
58
Barium tetraoxooctafluorodivanadate
- Ba3 F8 O4 V2 -
- Ba3 F8 O4 V2 -
- Ba12 F32 O16 V8 -
4
0.5
Crosnier-Lopez, M P; Duroy, H; Fourquet, J L
Ba~3~V~2~O~4~F~8~:(V~4~(O,F)~20~)^8-^ tetrameric groups of octahedra inserted in a tridimensional network of (FBa~4~) tetrahedra
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,993
619
1597
1602
10.1002/zaac.19936190915
null
0.033
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Crosnier-Lopez, M P; Duroy, H; Fourquet, J L Ba~3~V~2~O~4~F~8~:(V~4~(O,F)~20~)^8-^ tetrameric groups of octahedra inserted in a tridimensional network of (FBa~4~) tetrahedra Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1597-1602
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/1/00/03/1000345.cif $ #-------------------------------------------------------------------...
1,000,346
6.6
0.003
8.048
0.004
9.759
0.005
106.08
0.03
103.72
0.03
102.28
0.02
461.9
null
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
Tricopper tetrairon(III) hexakis(vanadate) - $-beta
- Cu3 Fe4 O24 V6 -
- Cu3 Fe4 O24 V6 -
- Cu3 Fe4 O24 V6 -
1
0.5
Lafontaine, M A; Greneche, J M; Laligant, Y; Ferey, G
$-beta-Cu~3~Fe~4~(VO~4~)~6~: Structural study and relationships; physical properties
Journal of Solid State Chemistry
1,994
108
1
10
10.1006/jssc.1994.1001
null
0.041
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lafontaine, M A; Greneche, J M; Laligant, Y; Ferey, G $-beta-Cu~3~Fe~4~(VO~4~)~6~: Structural study and relationships; physical properties Journal of Solid State Chemistry 108 (1994) 1-10
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$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/1/00/03/1000346.cif $ #-------------------------------------------------------------------...
1,000,347
3.9171
0.0001
3.9171
0.0001
25.307
0.001
90
null
90
null
90
null
388.3
null
null
null
null
null
null
null
null
null
3
I 4/m m m
-I 4 2
139
Neodymium nickel oxide (4/3/8)
- Nd4 Ni3 O8 -
- Nd4 Ni3 O8 -
- Nd8 Ni6 O16 -
2
0.0625
Lacorre, Ph
Passage from T-type to T'-type arrangement by reducing R~4~Ni~3~O~10~ to R~4~Ni~3~O~8~ (R=La, Pr, Nd)
Journal of Solid State Chemistry
1,992
97
495
500
10.1016/0022-4596(92)90061-Y
null
0.027
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lacorre, Ph Passage from T-type to T'-type arrangement by reducing R~4~Ni~3~O~10~ to R~4~Ni~3~O~8~ (R=La, Pr, Nd) Journal of Solid State Chemistry 97 (1992) 495-500
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/1/00/03/1000347.cif $ #-------------------------------------------------------------------...
1,000,348
3.5837
0.0004
9.854
0.001
9.537
0.001
90
null
90
null
90
null
336.8
null
null
null
null
null
null
null
null
null
3
C m c m
-C 2c 2
63
Manganese aluminium fluoride
- Al F5 Mn -
- Al F5 Mn -
- Al4 F20 Mn4 -
4
0.25
Ferey, G; Leblanc, M; Mercier, A - M
A new refinement of the crystal structure of MnAlF~5~: new structural correlations with MnCrF~5~ and Cr~2~F~5~ using orthogonal subcell twinning
Journal of Solid State Chemistry
1,993
102
9
19
10.1006/jssc.1993.1003
null
0.023
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ferey, G; Leblanc, M; Mercier, A - M A new refinement of the crystal structure of MnAlF~5~: new structural correlations with MnCrF~5~ and Cr~2~F~5~ using orthogonal subcell twinning Journal of Solid State Chemistry 102 (1993) 9-19
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/1/00/03/1000348.cif $ #-------------------------------------------------------------------...
7,206,020
8.4608
0.0007
10.3198
0.0009
10.5728
0.0009
90
null
118.944
0.008
90
null
807.84
0.13
293
2
293
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C2 H3 Cu N4 -
- C2 H3 Cu N4 -
- C16 H24 Cu8 N32 -
8
2
Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming
Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer
CrystEngComm
2,011
13
11
3827
10.1039/c1ce05230f
0.71073
MoKα
0.0407
0.0335
null
null
0.0863
0.0903
null
null
null
null
null
1.042
null
null
has coordinates
Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer CrystEngComm 13(11) (2011) 3827
180,391
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:23:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180391 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/60/7206020.cif $ #-------------------------------------------------------------------...
1,000,349
9.593
0.002
9.742
0.002
9.981
0.002
90
null
90
null
90
null
932.8
null
null
null
null
null
null
null
null
null
6
P 21 21 21
P 2ac 2ab
19
Ammonium oxonium gallium phosphate hydroxide fluoride *
- F0.5 Ga H4.43 N0.93 O4.57 P -
- F0.5 Ga H8.86 N0.93 O4.57 P -
- F4 Ga8 H70.88 N7.44 O36.56 P8 -
8
2
Ferey, G; Loiseau, T; Lacorre, P; Taulelle, F
Oxyfluorinated microporous compounds. I. Crystal structure of (NH~4~)~0.93~(H~3~O)~0.07~GaPO~4~(OH)~0.5~ F~0.5~: reexamination of the structure of AlPO~4~-CJ2
Journal of Solid State Chemistry
1,993
105
179
190
10.1006/jssc.1993.1206
null
0.027
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ferey, G; Loiseau, T; Lacorre, P; Taulelle, F Oxyfluorinated microporous compounds. I. Crystal structure of (NH~4~)~0.93~(H~3~O)~0.07~GaPO~4~(OH)~0.5~ F~0.5~: reexamination of the structure of AlPO~4~-CJ2 Journal of Solid State Chemistry 105 (1993) 179-190
176,435
2020-10-21
18:00:00
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1,000,350
9.416
0.008
9.563
0.005
9.933
0.004
90
null
90
null
90
null
894.4
null
null
null
null
null
null
null
null
null
6
P 21 21 21
P 2ac 2ab
19
Ammonium oxonium alumimium phosphate hydroxide fluoride *
- Al F0.675 H4.205 N0.88 O4.445 P -
- Al F0.675 H8.41 N0.88 O4.445 P -
- Al8 F5.4 H67.28 N7.04 O35.56 P8 -
8
2
Ferey, G; Loiseau, T; Lacorre, P; Taulelle, F
Oxyfluorinated microporous compounds. I. Crystal structure of (NH~4~)~0.93~(H~3~O)~0.07~GaPO~4~(OH)~0.5~ F~0.5~: reexamination of the structure of AlPO~4~-CJ2
Journal of Solid State Chemistry
1,993
105
179
190
10.1006/jssc.1993.1206
null
0.024
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ferey, G; Loiseau, T; Lacorre, P; Taulelle, F Oxyfluorinated microporous compounds. I. Crystal structure of (NH~4~)~0.93~(H~3~O)~0.07~GaPO~4~(OH)~0.5~ F~0.5~: reexamination of the structure of AlPO~4~-CJ2 Journal of Solid State Chemistry 105 (1993) 179-190
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/1/00/03/1000350.cif $ #-------------------------------------------------------------------...
1,000,351
5.184
0.001
5.184
0.001
13.04
0.005
90
null
90
null
90
null
350.4
null
null
null
null
null
null
null
null
null
5
I 41/a m d :2
-I 4bd 2
141
Iron phosphate fluoride hydroxide hydrate (1.2/1/0.5/0.2/0.4)
- F0.45 Fe1.21 H0.92 O4.55 P -
- F0.45 Fe1.212 H0.23 O4.55 P -
- F1.8 Fe4.848 H0.92 O18.2 P4 -
4
0.125
Loiseau, Th; Lacorre, Ph; Calage, Y; Greneche, J M; Ferey, G
Crystal structure and magnetic study of a new iron(III) phosphate, Fe~1.21~PO~4~X (X=F, OH, H~2~O), isostructural with 3MgSO~4~ . Mg(OH)~2~ . H~2~O
Journal of Solid State Chemistry
1,993
105
417
427
10.1006/jssc.1993.1234
null
0.02
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Loiseau, Th; Lacorre, Ph; Calage, Y; Greneche, J M; Ferey, G Crystal structure and magnetic study of a new iron(III) phosphate, Fe~1.21~PO~4~X (X=F, OH, H~2~O), isostructural with 3MgSO~4~ . Mg(OH)~2~ . H~2~O Journal of Solid State Chemistry 105 (1993) 417-427
176,435
2020-10-21
18:00:00
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7,206,019
10.3115
0.0009
10.4977
0.001
14.7439
0.0014
90
null
90
null
90
null
1,596
0.3
293
2
293
2
null
null
null
null
4
P b c a
-P 2ac 2ab
61
- C2 H3 Cu N4 -
- C2 H3 Cu N4 -
- C32 H48 Cu16 N64 -
16
2
Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming
Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer
CrystEngComm
2,011
13
11
3827
10.1039/c1ce05230f
0.71073
MoKα
0.0545
0.0462
null
null
0.1102
0.1155
null
null
null
null
null
1.029
null
null
has coordinates
Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer CrystEngComm 13(11) (2011) 3827
180,391
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:23:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180391 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/60/7206019.cif $ #-------------------------------------------------------------------...
1,000,352
22.633
0.003
7.804
0.001
7.748
0.001
90
null
90
null
90
null
1,368.5
null
null
null
null
null
null
null
null
null
5
C m c 21
C 2c -2
36
Tribarium diniobium dioxide dodecafluoride dihydrate
- Ba3 F12 H4 Nb2 O4 -
- Ba3 F12 H4 Nb2 O4 -
- Ba12 F48 H16 Nb8 O16 -
4
0.5
Crosnier-Lopez, M P; Fourquet, J L
Ba~3~Nb~2~O~2~F~12~.2H~2~O: Synthesis and crystal structure
Journal of Solid State Chemistry
1,993
105
92
99
10.1006/jssc.1993.1196
null
0.031
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Crosnier-Lopez, M P; Fourquet, J L Ba~3~Nb~2~O~2~F~12~.2H~2~O: Synthesis and crystal structure Journal of Solid State Chemistry 105 (1993) 92-99
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/1/00/03/1000352.cif $ #-------------------------------------------------------------------...
1,000,353
11.935
0.001
11.935
0.001
7.852
0.001
90
null
90
null
120
null
968.6
null
null
null
null
null
null
null
null
null
5
P 63/m
-P 6c
176
Barium tris(oxohexafluoroniobate) hydrogendifluoride
- Ba5 F20 H Nb3 O3 -
- Ba5 F20 H0.1667 Nb3 O3 -
- Ba10 F40 H0.3334 Nb6 O6 -
2
0.166667
Crosnier-Lopez, M P; Duroy, H; Fourquet, J L
Ba~5~Nb~3~O~3~F~18~(HF~2~): synthesis and crystal structure
Journal of Solid State Chemistry
1,993
107
211
217
10.1006/jssc.1993.1340
null
0.025
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Crosnier-Lopez, M P; Duroy, H; Fourquet, J L Ba~5~Nb~3~O~3~F~18~(HF~2~): synthesis and crystal structure Journal of Solid State Chemistry 107 (1993) 211-217
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/1/00/03/1000353.cif $ #-------------------------------------------------------------------...
1,000,354
12.9399
0.0008
12.9399
0.0008
7.1275
0.0003
90
null
90
null
120
null
1,033.5
null
null
null
null
null
null
null
null
null
4
R -3 :H
-R 3
148
Copper iron vanadium oxide (6/0.9/6/19)
- Cu6 Fe0.9 O19 V6 -
- Cu6 Fe0.9 O19 V6 -
- Cu18 Fe2.7 O57 V18 -
3
0.166667
Permer, L; Laligant, Y; Ferey, G; Calage, Y
Crystal structure, magnetic, and Moessbauer studies of Cu~6~Fe~0.9~V~6~O~19~: a compound with relaxation effect
Journal of Solid State Chemistry
1,993
107
539
546
10.1006/jssc.1993.1379
null
0.035
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Permer, L; Laligant, Y; Ferey, G; Calage, Y Crystal structure, magnetic, and Moessbauer studies of Cu~6~Fe~0.9~V~6~O~19~: a compound with relaxation effect Journal of Solid State Chemistry 107 (1993) 539-546
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/1/00/03/1000354.cif $ #-------------------------------------------------------------------...
1,000,355
5.935
0.006
10.282
0.002
13.368
0.013
90
null
106.78
0.07
90
null
781
null
null
null
null
null
null
null
null
null
4
P 1 c 1
P -2yc
7
Copper(I) chromium hexathio-duo-diphosphate(IV)
- Cr Cu P2 S6 -
- Cr Cu P2 S6 -
- Cr4 Cu4 P8 S24 -
4
2
Maisonneuve, V; Cajipe, V B; Payen, C
Low-temperature neutron powder diffraction study of CuCrP~2~S~6~: observation of an ordered, antipolar copper sublattice
Chemistry of Materials (1,1989-
1,993
5
758
760
10.1021/cm00030a006
null
0.067
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Maisonneuve, V; Cajipe, V B; Payen, C Low-temperature neutron powder diffraction study of CuCrP~2~S~6~: observation of an ordered, antipolar copper sublattice Chemistry of Materials (1,1989- 5 (1993) 758-760
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/1/00/03/1000355.cif $ #-------------------------------------------------------------------...
7,206,018
3.6325
0.0006
10.2841
0.0017
10.4812
0.0017
90
null
97.379
0.003
90
null
388.3
0.11
293
2
293
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C2 H3 Cu N4 -
- C2 H3 Cu N4 -
- C8 H12 Cu4 N16 -
4
1
Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming
Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer
CrystEngComm
2,011
13
11
3827
10.1039/c1ce05230f
0.71073
MoKα
0.0798
0.0628
null
null
0.1324
0.1412
null
null
null
null
null
1.004
null
null
has coordinates
Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer CrystEngComm 13(11) (2011) 3827
180,391
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:23:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180391 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/60/7206018.cif $ #-------------------------------------------------------------------...
1,000,356
7.4618
0.0004
7.4618
0.0004
15.5565
0.001
90
null
90
null
90
null
866.2
null
null
null
null
null
null
null
null
null
5
I 41/a m d :2
-I 4bd 2
141
Tetraamminepalladium molybdate
- H12 Mo N4 O4 Pd -
- H12 Mo N4 O4 Pd -
- H48 Mo4 N16 O16 Pd4 -
4
0.125
Laligant, Y
Crystal structure of the first palladium ammine molybdate: Pd(NH~3~)~4~(MoO~4~)
European Journal of Solid State Inorganic Chemistry
1,993
30
1017
1023
null
0.02
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laligant, Y Crystal structure of the first palladium ammine molybdate: Pd(NH~3~)~4~(MoO~4~) European Journal of Solid State Inorganic Chemistry 30 (1993) 1017-1023
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/1/00/03/1000356.cif $ #-------------------------------------------------------------------...
1,000,357
3.8463
0.0004
3.8018
0.0004
12.154
0.001
90
null
90
null
90
null
177.7
null
null
null
null
null
null
null
null
null
6
P m m m
-P 2 2
47
Mercury praseodymium strontium calcium copper oxide (0.4/1.1/2/0.5/2/7)
- Ca0.5 Cu2 Hg0.4 O7 Pr1.1 Sr2 -
- Ca0.5 Cu2 Hg0.4 O7 Pr1.1 Sr2 -
- Ca0.5 Cu2 Hg0.4 O7 Pr1.1 Sr2 -
1
0.125
Hervieu, M; Van Tendeloo, G; Maignan, A; Michel, C; Goutenoire, F; Raveau, B
New 1212-type superconductors with a T~c~ up to 85K in the system Hg-Pr- Sr-Ca-Cu-O
Physica C (Amsterdam) (152,1988-)
1,993
216
264
272
10.1016/0921-4534(93)90070-7
null
0.06
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hervieu, M; Van Tendeloo, G; Maignan, A; Michel, C; Goutenoire, F; Raveau, B New 1212-type superconductors with a T~c~ up to 85K in the system Hg-Pr- Sr-Ca-Cu-O Physica C (Amsterdam) (152,1988-) 216 (1993) 264-272
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/1/00/03/1000357.cif $ #-------------------------------------------------------------------...
1,000,358
7.92
0.001
27.60799
0.002
7.375
0.001
90
null
90
null
90
null
1,612.6
null
null
null
null
null
null
null
null
null
4
F d d 2
F 2 -2d
43
Barium oxotetrafluorovanadate(IV)
- Ba F4 O V -
- Ba F4 O V -
- Ba16 F64 O16 V16 -
16
1
Crosnier-Lopez, M P; Duroy, H; Fourquet, J L
Crystal structure of a new acentric oxide fluoride of V^IV^: BaVOF~4~
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,993
620
309
312
10.1002/zaac.19946200216
null
0.026
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Crosnier-Lopez, M P; Duroy, H; Fourquet, J L Crystal structure of a new acentric oxide fluoride of V^IV^: BaVOF~4~ Zeitschrift fuer Anorganische und Allgemeine Chemie 620 (1993) 309-312
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/1/00/03/1000358.cif $ #-------------------------------------------------------------------...
1,000,359
12.993
0.003
6.468
0.001
10.64
0.003
90
null
90
null
90
null
894.2
null
null
null
null
null
null
null
null
null
6
P n a 21
P 2c -2n
33
Ammonium iron(III) phosphate fluoride
- F Fe H4 N O4 P -
- F Fe H8 N O4 P -
- F8 Fe8 H64 N8 O32 P8 -
8
2
Loiseau, Th; Calage, Y; Lacorre, P; Ferey, G
NH~4~FePO~4~F: structural study and magnetic properties
Journal of Solid State Chemistry
1,994
111
390
396
10.1006/jssc.1994.1244
null
0.024
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Loiseau, Th; Calage, Y; Lacorre, P; Ferey, G NH~4~FePO~4~F: structural study and magnetic properties Journal of Solid State Chemistry 111 (1994) 390-396
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/1/00/03/1000359.cif $ #-------------------------------------------------------------------...
7,206,017
21.7073
0.0005
21.7073
0.0005
22.5476
0.0007
90
null
90
null
90
null
10,624.6
0.5
150
2
150
2
null
null
null
null
6
P 4/n n c :2
-P 4a 2bc
126
- C127 H222 Cl2 Dy12 N16 O113 -
- C112 H80 Cl2 Dy12 N16 O56 -
- C224 H160 Cl4 Dy24 N32 O112 -
2
0.125
Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang
Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate
CrystEngComm
2,011
13
10
3345
10.1039/c1ce05211j
0.71073
MoKα
0.1036
0.0745
null
null
0.2502
0.2876
null
null
null
null
null
1.13
null
null
has coordinates
Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate CrystEngComm 13(10) (2011) 3345
180,391
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:23:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180391 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/60/7206017.cif $ #-------------------------------------------------------------------...
1,000,360
10.372
0.003
10.805
0.003
44.98
0.02
90
null
90
null
90
null
5,040.9
null
null
null
null
null
null
null
null
null
4
F d d d :2
-F 2uv 2vw
70
Heptasodium distrontium tecto-fluoroheptaferrate(III)
- F32 Fe7 Na7 Sr2 -
- F32 Fe7 Na7 Sr2 -
- F256 Fe56 Na56 Sr16 -
8
0.25
Hemon-Ribaud, A; Greneche, J M; Courbion, G
Synthesis, crystal structure, and magnetic study of Na~7~Sr~2~Fe~7~F~32~
Journal of Solid State Chemistry
1,994
112
82
91
10.1006/jssc.1994.1269
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hemon-Ribaud, A; Greneche, J M; Courbion, G Synthesis, crystal structure, and magnetic study of Na~7~Sr~2~Fe~7~F~32~ Journal of Solid State Chemistry 112 (1994) 82-91
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/1/00/03/1000360.cif $ #-------------------------------------------------------------------...
1,000,361
11.519
0.003
13.456
0.003
5.974
0.001
90
null
90
null
90
null
926
null
null
null
null
null
null
null
null
null
5
C m c m
-C 2c 2
63
Tribarium scandium carbonate heptafluoride
- C Ba3 F7 O3 Sc -
- C Ba3 F7 O3 Sc -
- C4 Ba12 F28 O12 Sc4 -
4
0.25
Mercier, N.; Leblanc, M.
A scandium fluorocarbonate, Ba~3~Sc(CO~3~)F~7~
Acta Crystallographica, Section C: Crystal Structure Communications
1,994
50
12
1862
1864
10.1107/s0108270194007328
null
0.025
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mercier, N.; Leblanc, M. A scandium fluorocarbonate, Ba~3~Sc(CO~3~)F~7~ Acta Crystallographica, Section C: Crystal Structure Communications 50(12) (1994) 1862-1864
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/1/00/03/1000361.cif $ #-------------------------------------------------------------------...
1,000,362
6.596
0.004
10.774
0.004
14.09
0.01
90
null
90
null
90
null
1,001.3
null
null
null
null
null
null
null
null
null
5
P b c a
-P 2ac 2ab
61
Disodium europium carbonate trifluoride
- C Eu F3 Na2 O3 -
- C Eu F3 Na2 O3 -
- C8 Eu8 F24 Na16 O24 -
8
1
Mercier, N; Leblanc, M
A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~
Acta Crystallographica C (39,1983-)
1,994
50
1864
1865
null
0.018
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mercier, N; Leblanc, M A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~ Acta Crystallographica C (39,1983-) 50 (1994) 1864-1865
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/1/00/03/1000362.cif $ #-------------------------------------------------------------------...
1,000,363
7.4289
0.0008
6.203
0.001
3.5574
0.0006
90
null
90
null
90
null
163.9
null
null
null
null
null
null
null
null
null
3
I m m m
-I 2 2
71
Iron aluminium fluoride
- Al F5 Fe -
- Al F5 Fe -
- Al2 F10 Fe2 -
2
0.125
Fourquet, J L; Calage, Y; Bentrup, U
FeAlF~5~: Synthesis and crystal structure
Journal of Solid State Chemistry
1,994
108
189
192
10.1006/jssc.1994.1029
null
0.074
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fourquet, J L; Calage, Y; Bentrup, U FeAlF~5~: Synthesis and crystal structure Journal of Solid State Chemistry 108 (1994) 189-192
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/1/00/03/1000363.cif $ #-------------------------------------------------------------------...
1,000,364
5.59
0.001
9.978
0.004
7.544
0.001
90
null
103.36
0.01
90
null
409.4
null
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Copper niobium trihydroxide tetrafluoride trihydrate
- Cu F4 H9 Nb O6 -
- Cu F4 H15.5 Nb O6 -
- Cu2 F8 H31 Nb2 O12 -
2
0.5
Crosnier-Lopez, M P; Duroy, H; Fourquet, J L
About the crystal structure of CuNb(OH, F)~7~.3H~2~O
Journal of Solid State Chemistry
1,994
108
398
401
10.1006/jssc.1994.1058
null
0.0272
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Crosnier-Lopez, M P; Duroy, H; Fourquet, J L About the crystal structure of CuNb(OH, F)~7~.3H~2~O Journal of Solid State Chemistry 108 (1994) 398-401
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/1/00/03/1000364.cif $ #-------------------------------------------------------------------...
1,000,365
6.2096
0.00008
6.2096
0.00008
12.9628
0.0002
90
null
90
null
90
null
499.8
null
null
null
null
null
null
null
null
null
3
P 4/n c c :2
-P 4a 2ac
130
Trilithium thorium fluoride
- F7 Li3 Th -
- F7 Li3 Th -
- F28 Li12 Th4 -
4
0.25
Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D
Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways
European Journal of Solid State Inorganic Chemistry
1,992
29
497
504
null
0.031
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways European Journal of Solid State Inorganic Chemistry 29 (1992) 497-504
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/1/00/03/1000365.cif $ #-------------------------------------------------------------------...
7,206,016
20.0609
0.0003
20.0609
0.0003
37.6855
0.0012
90
null
90
null
90
null
15,166.1
0.6
150
2
150
2
null
null
null
null
7
P 4/n n c :2
-P 4a 2bc
126
- C210 H330 Cl2 Dy14 N24 O143 S16 -
- C210 H200 Cl2 Dy14 N24 O122 S16 -
- C420 H400 Cl4 Dy28 N48 O244 S32 -
2
0.125
Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang
Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate
CrystEngComm
2,011
13
10
3345
10.1039/c1ce05211j
0.71073
MoKα
0.0669
0.0453
null
null
0.1317
0.1456
null
null
null
null
null
1.085
null
null
has coordinates
Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate CrystEngComm 13(10) (2011) 3345
180,391
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:23:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180391 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/60/7206016.cif $ #-------------------------------------------------------------------...
1,000,366
6.21785
0.00006
6.21785
0.00006
12.9836
0.0002
90
null
90
null
90
null
502
null
null
null
null
null
null
null
null
null
3
P 4/n c c :2
-P 4a 2ac
130
Trilithium thorium fluoride
- F7 Li3 Th -
- F7 Li3 Th -
- F28 Li12 Th4 -
4
0.25
Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D
Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways
European Journal of Solid State Inorganic Chemistry
1,992
29
497
504
null
0.031
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways European Journal of Solid State Inorganic Chemistry 29 (1992) 497-504
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/1/00/03/1000366.cif $ #-------------------------------------------------------------------...
1,000,367
6.2301
0.00007
6.2301
0.00007
13.0153
0.0002
90
null
90
null
90
null
505.2
null
null
null
null
null
null
null
null
null
3
P 4/n c c :2
-P 4a 2ac
130
Trilithium thorium fluoride
- F7 Li3 Th -
- F7 Li3 Th -
- F28 Li12 Th4 -
4
0.25
Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D
Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways
European Journal of Solid State Inorganic Chemistry
1,992
29
497
504
null
0.034
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways European Journal of Solid State Inorganic Chemistry 29 (1992) 497-504
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/1/00/03/1000367.cif $ #-------------------------------------------------------------------...
1,000,368
6.24774
0.00008
6.24774
0.00008
13.0604
0.0002
90
null
90
null
90
null
509.8
null
null
null
null
null
null
null
null
null
3
P 4/n c c :2
-P 4a 2ac
130
Trilithium thorium fluoride
- F7 Li3 Th -
- F7 Li3 Th -
- F28 Li12 Th4 -
4
0.25
Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D
Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways
European Journal of Solid State Inorganic Chemistry
1,992
29
497
504
null
0.03
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways European Journal of Solid State Inorganic Chemistry 29 (1992) 497-504
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/1/00/03/1000368.cif $ #-------------------------------------------------------------------...
1,000,369
3.8289
0.0001
3.8289
0.0001
41.75699
0.001
90
null
90
null
90
null
612.2
null
null
null
null
null
null
null
null
null
6
I 4/m m m
-I 4 2
139
Mercury dithallium(III) tribarium strontium dicopper oxide
- Ba3 Cu2 Hg O10 Sr Tl2 -
- Ba3 Cu2 Hg O10 Sr Tl2 -
- Ba6 Cu4 Hg2 O20 Sr2 Tl4 -
2
0.0625
Goutenoire, F; Hervieu, M; Martin, C; Maignan, A; Michel, C; Letouze, F; Raveau, B
Cationic substitutions in the "2201-1201" intergrowth Hg Tl2 Ba4 Cu2 O10
Chemistry of Materials (1,1989-
1,994
6
1654
1658
10.1021/cm00046a017
null
0.075
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Goutenoire, F; Hervieu, M; Martin, C; Maignan, A; Michel, C; Letouze, F; Raveau, B Cationic substitutions in the "2201-1201" intergrowth Hg Tl2 Ba4 Cu2 O10 Chemistry of Materials (1,1989- 6 (1994) 1654-1658
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/1/00/03/1000369.cif $ #-------------------------------------------------------------------...
1,000,370
10.945
0.002
10.945
0.002
14.756
0.004
90
null
90
null
120
null
1,530.8
null
null
null
null
null
null
null
null
null
3
P 63 c m
P 6c -2
185
Tricaesium nonafluorodigallate
- Cs3 F9 Ga2 -
- Cs3 F9 Ga2 -
- Cs18 F54 Ga12 -
6
0.5
de Kozak, A; Mary, Y; Gredin, P; Renaudin, J; Ferey, G; Babel, D
The crystal structure of the binuclear fluorocompound Cs3 Ga2 F9
European Journal of Solid State Inorganic Chemistry
1,994
31
115
122
null
0.03
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
de Kozak, A; Mary, Y; Gredin, P; Renaudin, J; Ferey, G; Babel, D The crystal structure of the binuclear fluorocompound Cs3 Ga2 F9 European Journal of Solid State Inorganic Chemistry 31 (1994) 115-122
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/1/00/03/1000370.cif $ #-------------------------------------------------------------------...
1,000,371
10.658
0.001
20.62799
0.002
17.55099
0.002
90
null
113.038
0.007
90
null
3,550.9
null
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Triammonia tris(tetraamminepalladium) heptamolybdate(VI)
- H45 Mo7 N15 O24 Pd3 -
- H45 Mo7 N15 O24 Pd3 -
- H180 Mo28 N60 O96 Pd12 -
4
1
Laligant, Y
Crystal structure of the heptamolybdate(VI) (paramolybdate) (N H3)3 (Pd (N H3)4)3 Mo7 O24
European Journal of Solid State Inorganic Chemistry
1,994
31
211
222
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laligant, Y Crystal structure of the heptamolybdate(VI) (paramolybdate) (N H3)3 (Pd (N H3)4)3 Mo7 O24 European Journal of Solid State Inorganic Chemistry 31 (1994) 211-222
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/1/00/03/1000371.cif $ #-------------------------------------------------------------------...
7,206,015
6.994
0.003
10.99
0.004
12.008
0.005
82.639
0.01
82.527
0.01
71.827
0.009
865.7
0.6
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
Co3(C22H36N6O26)
Co3(C22H36N6O26)
- C22 H36 Co3 N6 O26 -
- C22 H36 Co3 N6 O26 -
- C22 H36 Co3 N6 O26 -
1
0.5
Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun
Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands
CrystEngComm
2,011
13
11
3868
10.1039/c1ce05208j
0.71073
MoKα
0.0561
0.0398
null
null
0.0879
0.0971
null
null
null
null
null
1.031
null
null
has coordinates
Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands CrystEngCom...
180,391
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:23:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180391 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/60/7206015.cif $ #-------------------------------------------------------------------...
1,000,372
3.972
0.001
5.038
0.002
9.005
0.005
90
null
90
null
90
null
180.2
null
null
null
null
null
null
null
null
null
5
P m c 21
P 2c -2
26
Potassium copper carbonate fluoride
- C Cu F K O3 -
- C Cu F K O3 -
- C2 Cu2 F2 K2 O6 -
2
0.5
Mercier, N; Leblanc, M
Synthesis, characterization and crystal structure of a new copper fluorocarbonate K Cu (C O3) F
European Journal of Solid State Inorganic Chemistry
1,994
31
423
430
null
0.021
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mercier, N; Leblanc, M Synthesis, characterization and crystal structure of a new copper fluorocarbonate K Cu (C O3) F European Journal of Solid State Inorganic Chemistry 31 (1994) 423-430
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/1/00/03/1000372.cif $ #-------------------------------------------------------------------...
1,000,373
6.399
0.001
3.59
0.001
7.22
0.002
90
null
110.29
0.01
90
null
155.6
null
null
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
Sodium vanadium dioxide difluoride
- F2 Na O2 V -
- F2 Na O2 V -
- F4 Na2 O4 V2 -
2
1
Crosnier-Lopez, M - P; Duroy, H; Fourquet, J - L; Abrabri, M
Synthesis and crystal structure of Na V O2 F2
European Journal of Solid State Inorganic Chemistry
1,994
31
957
965
null
0.027
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Crosnier-Lopez, M - P; Duroy, H; Fourquet, J - L; Abrabri, M Synthesis and crystal structure of Na V O2 F2 European Journal of Solid State Inorganic Chemistry 31 (1994) 957-965
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/1/00/03/1000373.cif $ #-------------------------------------------------------------------...
1,000,374
17.036
0.002
11.489
0.001
7.62
0.002
90
null
101.48
0.01
90
null
1,461.6
null
null
null
null
null
null
null
null
null
5
C 1 2/m 1
-C 2y
12
Barium iron fluoride hydroxide hydrate (7/6/26.7/5.3/2)
- Ba7 F26.7 Fe6 H9.3 O7.3 -
- Ba7 F26.7008 Fe6 H11.6242 O7.2992 -
- Ba14 F53.4016 Fe12 H23.2484 O14.5984 -
2
0.25
Crosnier-Lopez, M P; Calage, Y; Duroy, H; Fourquet, J L
Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new defective jarlite-type compound
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,995
621
1025
1032
10.1002/zaac.19956210622
null
0.032
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Crosnier-Lopez, M P; Calage, Y; Duroy, H; Fourquet, J L Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new defective jarlite-type compound Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 1025-1032
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/1/00/03/1000374.cif $ #-------------------------------------------------------------------...
1,000,375
17.02299
0.001
11.482
0.001
7.624
0.001
90
null
101.13
0.01
90
null
1,462.1
null
null
null
null
null
null
null
null
null
5
C 1 2/m 1
-C 2y
12
Heptabarium bis(16-fluorotriferrate(III)) dihydrate
- Ba7 F32 Fe6 H4 O2 -
- Ba7 F32 Fe6 H4 O2 -
- Ba14 F64 Fe12 H8 O4 -
2
0.25
Crosnier-Lopez, M P; Calage, Y; Duroy, H; Fourquet, J L
Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new defective jarlite-type compound
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,995
621
1025
1032
10.1002/zaac.19956210622
null
0.023
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Crosnier-Lopez, M P; Calage, Y; Duroy, H; Fourquet, J L Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new defective jarlite-type compound Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 1025-1032
200,452
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-11 16:25:09 +0300 (Mon, 11 Sep 2017) $ #$Revision: 200452 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/03/1000375.cif $ #-------------------------------------------------------------------...
1,000,376
20.118
0.003
5.597
0.001
9.44
0.002
89.75
0.02
105.79
0.02
89.38
0.02
1,022.7
null
null
null
null
null
null
null
null
null
3
C -1
-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)
2
Octalead iron diiron(III) fluoride
- F24 Fe3 Pb8 -
- F24 Fe3 Pb8 -
- F48 Fe6 Pb16 -
2
null
Pierrard, A; de Kozak, A; Gredin, P; Renaudin, J
The crystal structure of Pb8 Fe(II) Fe(III)2 F24: an ordered fluorite- like compound
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,995
621
1053
1057
10.1002/zaac.19956210627
null
0.048
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pierrard, A; de Kozak, A; Gredin, P; Renaudin, J The crystal structure of Pb8 Fe(II) Fe(III)2 F24: an ordered fluorite- like compound Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 1053-1057
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/1/00/03/1000376.cif $ #-------------------------------------------------------------------...
1,000,377
9.689
0.001
9.703
0.001
9.788
0.001
90
null
102.78
0.02
90
null
897.4
null
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
Ammonium aquahydroxobis(phosphato)digallate hydrate
- Ga2 H9 N O11 P2 -
- Ga2 H13 N O11 P2 -
- Ga8 H52 N4 O44 P8 -
4
1
Loiseau, T; Ferey, G
Crystal structure of (N H4) (Ga2 (P O4)2(O H)(H2 O)),(H2 O), isotypic with ALPO4-15
European Journal of Solid State Inorganic Chemistry
1,994
31
575
581
null
0.025
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Loiseau, T; Ferey, G Crystal structure of (N H4) (Ga2 (P O4)2(O H)(H2 O)),(H2 O), isotypic with ALPO4-15 European Journal of Solid State Inorganic Chemistry 31 (1994) 575-581
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/1/00/03/1000377.cif $ #-------------------------------------------------------------------...
7,206,014
10.446
0.003
16.862
0.002
7.3912
0.0015
90
null
96.063
0.019
90
null
1,294.6
0.5
293
2
293
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Co(C10H11N3O7)
Co(C10H11N3O7)
- C10 H11 Co N3 O7 -
- C10 H9 Co N3 O7 -
- C40 H36 Co4 N12 O28 -
4
1
Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun
Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands
CrystEngComm
2,011
13
11
3868
10.1039/c1ce05208j
0.71073
MoKα
0.1204
0.0736
null
null
0.1881
0.2214
null
null
null
null
null
1.029
null
null
has coordinates
Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands CrystEngCom...
180,391
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:23:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180391 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/60/7206014.cif $ #-------------------------------------------------------------------...
1,000,378
6.0956
0.0004
10.5645
0.0006
13.623
0.0008
90
null
107.101
0.003
90
null
838.5
null
null
null
null
null
null
null
null
null
4
C 1 c 1
C -2yc
9
Copper indium hexathiodiphosphate(IV) (1/1/1)
- Cu0.975 In P2 S6 -
- Cu0.975 In P2 S6 -
- Cu3.9 In4 P8 S24 -
4
1
Maisonneuve, V; Evain, M; Payen, C; Cajipe, V B; Molinie, P
Room-temperature crystal structure of the layered phase Cu(I) In(III) P2 S6
Journal of Alloys Compd.
1,995
218
157
164
10.1016/0925-8388(94)01416-7
null
0.051
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Maisonneuve, V; Evain, M; Payen, C; Cajipe, V B; Molinie, P Room-temperature crystal structure of the layered phase Cu(I) In(III) P2 S6 Journal of Alloys Compd. 218 (1995) 157-164
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/1/00/03/1000378.cif $ #-------------------------------------------------------------------...
1,000,379
3.3255
0.0001
11.022
0.001
10.479
0.001
90
null
90
null
90
null
384.1
null
null
null
null
null
null
null
null
null
3
C m c m
-C 2c 2
63
Calcium dithallate
- Ca O4 Tl2 -
- Ca O4 Tl2 -
- Ca4 O16 Tl8 -
4
0.25
Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B
Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2 O5, the first two members of the new series Can Tl2 On+3
Journal of Solid State Chemistry
1,995
114
428
434
10.1006/jssc.1995.1065
null
0.09
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2 O5, the first two members of the new series Can Tl2 On+3 Journal of Solid State Chemistry 114 (1995) 428-434
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/1/00/03/1000379.cif $ #-------------------------------------------------------------------...
1,000,380
3.3431
0.0001
11.159
0.001
13.499
0.001
90
null
90
null
90
null
503.6
null
null
null
null
null
null
null
null
null
3
C m c m
-C 2c 2
63
Calcium thallium oxide (1.9/2.1/5)
- Ca1.88 O5 Tl2.12 -
- Ca1.88 O5 Tl2.12 -
- Ca7.52 O20 Tl8.48 -
4
0.25
Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B
Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2O5, the first two members of the new series Can Tl2 On+3
Journal of Solid State Chemistry
1,995
114
428
434
10.1006/jssc.1995.1065
null
0.079
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2O5, the first two members of the new series Can Tl2 On+3 Journal of Solid State Chemistry 114 (1995) 428-434
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/1/00/03/1000380.cif $ #-------------------------------------------------------------------...
1,000,381
10.6829
0.0002
10.6829
0.0002
10.6829
0.0002
90
null
90
null
90
null
1,219.2
null
null
null
null
null
null
null
null
null
3
F d -3 m :2
-F 4vw 2vw 3
227
Thallium Thallium(III) niobium oxide (1.8/0.1/2/6.1)
- Nb2 O6.07 Tl2 -
- Nb2 O6.07 Tl2 -
- Nb16 O48.56 Tl16 -
8
0.041667
Fourquet, J L; Duroy, H; Lacorre, P
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
Journal of Solid State Chemistry
1,995
114
575
584
10.1006/jssc.1995.1087
null
0.038
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fourquet, J L; Duroy, H; Lacorre, P Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution Journal of Solid State Chemistry 114 (1995) 575-584
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/1/00/03/1000381.cif $ #-------------------------------------------------------------------...
1,000,382
10.6418
0.0002
10.6418
0.0002
10.6418
0.0002
90
null
90
null
90
null
1,205.2
null
null
null
null
null
null
null
null
null
3
F d -3 m :2
-F 4vw 2vw 3
227
Thallium Thallium(III) niobium oxide (1.7/0.3/2/6.3)
- Nb2 O6.271 Tl2 -
- Nb2 O6.271 Tl2 -
- Nb16 O50.168 Tl16 -
8
0.041667
Fourquet, J L; Duroy, H; Lacorre, P
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
Journal of Solid State Chemistry
1,995
114
575
584
10.1006/jssc.1995.1087
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fourquet, J L; Duroy, H; Lacorre, P Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution Journal of Solid State Chemistry 114 (1995) 575-584
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/1/00/03/1000382.cif $ #-------------------------------------------------------------------...
1,000,383
10.6399
0.0002
10.6399
0.0002
10.6399
0.0002
90
null
90
null
90
null
1,204.5
null
null
null
null
null
null
null
null
null
3
F d -3 m :2
-F 4vw 2vw 3
227
Thallium Thallium(III) niobium oxide (1.6/0.4/2/6.4)
- Nb2 O6.43 Tl2 -
- Nb2 O6.43 Tl2 -
- Nb16 O51.44 Tl16 -
8
0.041667
Fourquet, J L; Duroy, H; Lacorre, P
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
Journal of Solid State Chemistry
1,995
114
575
584
10.1006/jssc.1995.1087
null
0.033
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fourquet, J L; Duroy, H; Lacorre, P Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution Journal of Solid State Chemistry 114 (1995) 575-584
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/1/00/03/1000383.cif $ #-------------------------------------------------------------------...
7,206,013
18.895
0.004
8.0248
0.0016
17.604
0.004
90
null
120.8
0.03
90
null
2,292.8
1.1
293
2
293
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
Mn(H2O)(C10H5N3O4)
Mn(H2O)(C10H5N3O4)
- C10 H7 Mn N3 O5 -
- C10 H7 Mn N3 O5 -
- C80 H56 Mn8 N24 O40 -
8
1
Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun
Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands
CrystEngComm
2,011
13
11
3868
10.1039/c1ce05208j
0.71073
MoKα
0.0702
0.0634
null
null
0.1697
0.1735
null
null
null
null
null
0.991
null
null
has coordinates
Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands CrystEngCom...
180,391
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:23:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180391 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/60/7206013.cif $ #-------------------------------------------------------------------...
1,000,384
10.6397
0.0002
10.6397
0.0002
10.6397
0.0002
90
null
90
null
90
null
1,204.4
null
null
null
null
null
null
null
null
null
3
F d -3 m :2
-F 4vw 2vw 3
227
Thallium Thallium(III) niobium oxide (1.5/0.5/2/6.5)
- Nb2 O6.49 Tl2 -
- Nb2 O6.49 Tl2 -
- Nb16 O51.92 Tl16 -
8
0.041667
Fourquet, J L; Duroy, H; Lacorre, P
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
Journal of Solid State Chemistry
1,995
114
575
584
10.1006/jssc.1995.1087
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fourquet, J L; Duroy, H; Lacorre, P Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution Journal of Solid State Chemistry 114 (1995) 575-584
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/1/00/03/1000384.cif $ #-------------------------------------------------------------------...
1,000,385
10.637
0.0002
10.637
0.0002
10.637
0.0002
90
null
90
null
90
null
1,203.5
null
null
null
null
null
null
null
null
null
3
F d -3 m :2
-F 4vw 2vw 3
227
Thallium Thallium(III) niobium oxide (1.4/0.6/2/6.6)
- Nb2 O6.588 Tl2 -
- Nb2 O6.588 Tl2 -
- Nb16 O52.704 Tl16 -
8
0.041667
Fourquet, J L; Duroy, H; Lacorre, P
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
Journal of Solid State Chemistry
1,995
114
575
584
10.1006/jssc.1995.1087
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fourquet, J L; Duroy, H; Lacorre, P Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution Journal of Solid State Chemistry 114 (1995) 575-584
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/1/00/03/1000385.cif $ #-------------------------------------------------------------------...
1,000,386
10.6313
0.0002
10.6313
0.0002
10.6313
0.0002
90
null
90
null
90
null
1,201.6
null
null
null
null
null
null
null
null
null
3
F d -3 m :2
-F 4vw 2vw 3
227
Thallium Thallium(III) niobium oxide (1.4/0.6/2/6.6)
- Nb2 O6.648 Tl2 -
- Nb2 O6.648 Tl2 -
- Nb16 O53.184 Tl16 -
8
0.041667
Fourquet, J L; Duroy, H; Lacorre, P
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
Journal of Solid State Chemistry
1,995
114
575
584
10.1006/jssc.1995.1087
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fourquet, J L; Duroy, H; Lacorre, P Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution Journal of Solid State Chemistry 114 (1995) 575-584
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/1/00/03/1000386.cif $ #-------------------------------------------------------------------...
1,000,387
10.622
0.0002
10.622
0.0002
10.622
0.0002
90
null
90
null
90
null
1,198.4
null
null
null
null
null
null
null
null
null
3
F d -3 m :2
-F 4vw 2vw 3
227
Thallium Thallium(III) niobium oxide (1/1/2/7)
- Nb2 O7 Tl2 -
- Nb2 O7 Tl2 -
- Nb16 O56 Tl16 -
8
0.041667
Fourquet, J L; Duroy, H; Lacorre, P
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
Journal of Solid State Chemistry
1,995
114
575
584
10.1006/jssc.1995.1087
null
0.059
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fourquet, J L; Duroy, H; Lacorre, P Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution Journal of Solid State Chemistry 114 (1995) 575-584
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/1/00/03/1000387.cif $ #-------------------------------------------------------------------...
1,000,388
11.248
0.002
16.51299
0.002
3.3329
0.0003
90
null
90
null
90
null
619
null
null
null
null
null
null
null
null
null
3
P b a m
-P 2 2ab
55
Tricalcium dithallate
- Ca2.8 O6 Tl2.2 -
- Ca2.8 O6 Tl2.2 -
- Ca11.2 O24 Tl8.8 -
4
0.5
Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B
The calcium thallate Ca3 Tl2 O6, third member of the series Can Tl2 On+3
Journal of Solid State Chemistry
1,995
115
508
513
10.1006/jssc.1995.1166
null
0.048
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B The calcium thallate Ca3 Tl2 O6, third member of the series Can Tl2 On+3 Journal of Solid State Chemistry 115 (1995) 508-513
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/1/00/03/1000388.cif $ #-------------------------------------------------------------------...
1,000,389
7.7
0.002
5.801
0.002
8.939
0.002
90
null
106.85
0.02
90
null
382.1
null
null
null
null
null
null
null
null
null
4
P 1 21/m 1
-P 2yb
11
Dibarium phyllo-heptafluorochlorodizincate
- Ba2 Cl F7 Zn2 -
- Ba2 Cl F7 Zn2 -
- Ba4 Cl2 F14 Zn4 -
2
0.5
Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J
Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))
Journal of Solid State Chemistry
1,995
115
98
111
10.1006/jssc.1995.1108
null
0.028
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+)) Journal of Solid State Chemistry 115 (1995) 98-111
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/1/00/03/1000389.cif $ #-------------------------------------------------------------------...
1,000,390
7.692
0.003
5.783
0.002
8.945
0.002
90
null
106.88
0.02
90
null
380.8
null
null
null
null
null
null
null
null
null
4
P 1 21/m 1
-P 2yb
11
Dibarium phyllo-heptafluorochlorodicobaltate
- Ba2 Cl Co2 F7 -
- Ba2 Cl Co2 F7 -
- Ba4 Cl2 Co4 F14 -
2
0.5
Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J
Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))
Journal of Solid State Chemistry
1,995
115
98
111
10.1006/jssc.1995.1108
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+)) Journal of Solid State Chemistry 115 (1995) 98-111
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/1/00/03/1000390.cif $ #-------------------------------------------------------------------...
7,206,012
19.666
0.003
10.4447
0.0015
13.887
0.007
90
null
122.89
0.02
90
null
2,395.3
1.4
293
2
293
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
Mn(C10H9.50N3O6.25)
Mn(C10H9.50N3O6.25)
- C10 H9.5 Mn N3 O6.25 -
- C10 H9 Mn N3 O6.25 -
- C80 H72 Mn8 N24 O50 -
8
1
Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun
Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands
CrystEngComm
2,011
13
11
3868
10.1039/c1ce05208j
0.71073
MoKα
0.0267
0.0246
null
null
0.0612
0.0627
null
null
null
null
null
1.034
null
null
has coordinates
Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands CrystEngCom...
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/7/20/60/7206012.cif $ #-------------------------------------------------------------------...
1,000,391
7.766
0.003
5.844
0.001
8.932
0.004
90
null
106.64
0.01
90
null
388.4
null
null
null
null
null
null
null
null
null
5
P 1 21/m 1
-P 2yb
11
Dibarium phyllo-heptafluorochloromanganoniccolate
- Ba2 Cl F7 Mn Ni -
- Ba2 Cl F7 Mn Ni -
- Ba4 Cl2 F14 Mn2 Ni2 -
2
0.5
Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J
Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))
Journal of Solid State Chemistry
1,995
115
98
111
10.1006/jssc.1995.1108
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+)) Journal of Solid State Chemistry 115 (1995) 98-111
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/1/00/03/1000391.cif $ #-------------------------------------------------------------------...
1,000,392
4.77944
0.00004
4.77944
0.00004
18.21109
0.0002
90
null
90
null
90
null
416
null
null
null
null
null
null
null
null
null
4
I 4/m m m
-I 4 2
139
Tetracalcium dithallium carbonate hexaoxide
- C Ca4 O9 Tl2 -
- C Ca4 O9 Tl2 -
- C2 Ca8 O18 Tl4 -
2
0.0625
Caignaert, V; Hervieu, M; Goutenoire, F; Raveau, B
New thallium oxycarbonates built up from rock salt layers: A4 Tl2 C O3 O6 (A=Ca,Sr,Ba)
Journal of Solid State Chemistry
1,995
116
321
328
10.1006/jssc.1995.1221
null
0.042
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Caignaert, V; Hervieu, M; Goutenoire, F; Raveau, B New thallium oxycarbonates built up from rock salt layers: A4 Tl2 C O3 O6 (A=Ca,Sr,Ba) Journal of Solid State Chemistry 116 (1995) 321-328
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/1/00/03/1000392.cif $ #-------------------------------------------------------------------...
7,206,011
6.9772
0.0004
10.5977
0.0006
17.178
0.0009
93.904
0.001
90.393
0.001
104.403
0.001
1,227.03
0.12
100
2
100
2
null
null
null
null
4
P -1
-P 1
2
- C28 H32 N4 O4 -
- C28 H32 N4 O4 -
- C56 H64 N8 O8 -
2
1
Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S.
A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas
CrystEngComm
2,011
13
11
3665
10.1039/c1ce05207a
0.71073
MoKα
0.0626
0.0397
null
null
0.0926
0.1005
null
null
null
null
null
0.911
null
null
has coordinates,has disorder
Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S. A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas CrystEngComm 13(11) (2011) 3665
180,391
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:23:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180391 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/60/7206011.cif $ #-------------------------------------------------------------------...
1,000,393
5.9422
0.0005
26.39499
0.003
5.959
0.0005
90
null
90
null
90
null
934.6
null
null
null
null
null
null
null
null
null
4
C m c m
-C 2c 2
63
Tribarium tantalum oxide nonafluoride
- Ba3 F9 O Ta -
- Ba3 F9 O Ta -
- Ba12 F36 O4 Ta4 -
4
0.25
Crosnier-Lopez, M - P; Duroy, H; Fourquet, J - L; Laligant, Y
Synthesis and crystal structure of Ba3 Ta O F9
European Journal of Solid State Inorganic Chemistry
1,995
92
457
468
null
0.042
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Crosnier-Lopez, M - P; Duroy, H; Fourquet, J - L; Laligant, Y Synthesis and crystal structure of Ba3 Ta O F9 European Journal of Solid State Inorganic Chemistry 92 (1995) 457-468
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/1/00/03/1000393.cif $ #-------------------------------------------------------------------...
1,000,394
4.8866
0.0006
8.531
0.001
9.582
0.001
90
null
90
null
90
null
399.5
null
null
null
null
null
null
null
null
null
5
P b c m
-P 2c 2b
57
Barium copper carbonate difluoride
- C Ba Cu F2 O3 -
- C Ba Cu F2 O3 -
- C4 Ba4 Cu4 F8 O12 -
4
0.5
Leblanc, M; Mercier, N; Attfield, J - P
Revision of the structure of Ba Cu (C O3) F2 by neutron diffraction
European Journal of Solid State Inorganic Chemistry
1,995
32
535
538
null
0.017
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leblanc, M; Mercier, N; Attfield, J - P Revision of the structure of Ba Cu (C O3) F2 by neutron diffraction European Journal of Solid State Inorganic Chemistry 32 (1995) 535-538
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/1/00/03/1000394.cif $ #-------------------------------------------------------------------...
1,000,395
7.006
0.002
11.181
0.003
21.86499
0.006
90
null
90
null
90
null
1,712.8
null
null
null
null
null
null
null
null
null
5
F d d d :2
-F 2uv 2vw
70
Potassium gadolinium carbonate difluoride
- C F2 Gd K O3 -
- C F2 Gd K O3 -
- C16 F32 Gd16 K16 O48 -
16
0.5
Mercier, N; Leblanc, M; Antic-Fidancev, E; Lemaitre-Blaise, M; Porcher, P
Structure and optical properties of K Gd (C O3) F2 : Eu(3+)
Journal of Alloys Compd.
1,995
225
198
202
10.1016/0925-8388(94)07093-8
null
0.028
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mercier, N; Leblanc, M; Antic-Fidancev, E; Lemaitre-Blaise, M; Porcher, P Structure and optical properties of K Gd (C O3) F2 : Eu(3+) Journal of Alloys Compd. 225 (1995) 198-202
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/1/00/03/1000395.cif $ #-------------------------------------------------------------------...
1,000,396
9.1546
0.0002
9.1546
0.0002
9.1546
0.0002
90
null
90
null
90
null
767.2
null
null
null
null
null
null
null
null
null
3
P 21 3
P 2ac 2ab 3
198
Zirconium tungstate
- O8 W2 Zr -
- O8 W2 Zr -
- O32 W8 Zr4 -
4
0.333333
Auray, M; Quarton, M; Leblanc, M
Zirconium tungstate
Acta Crystallographica C (39,1983-)
1,995
51
2210
2213
null
0.027
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Auray, M; Quarton, M; Leblanc, M Zirconium tungstate Acta Crystallographica C (39,1983-) 51 (1995) 2210-2213
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/1/00/03/1000396.cif $ #-------------------------------------------------------------------...
7,206,010
7.1366
0.0004
10.9517
0.0006
33.5506
0.0018
90
null
94.278
0.001
90
null
2,614.9
0.2
100
2
100
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C28 H34 N4 O5 S -
- C28 H34 N4 O5 S -
- C112 H136 N16 O20 S4 -
4
1
Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S.
A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas
CrystEngComm
2,011
13
11
3665
10.1039/c1ce05207a
0.71073
MoKα
0.0823
0.0418
null
null
0.0655
0.0748
null
null
null
null
null
0.826
null
null
has coordinates
Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S. A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas CrystEngComm 13(11) (2011) 3665
202,017
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $ #$Revision: 202017 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/60/7206010.cif $ #-------------------------------------------------------------------...
1,000,397
10.731
0.001
10.731
0.001
12.803
0.002
90
null
90
null
120
null
1,276.8
null
null
null
null
null
null
null
null
null
4
P -6 2 m
P -6 -2
189
Barium copper fluoride chloride (5/4/17/1)
- Ba5 Cl Cu4 F17 -
- Ba5 Cl Cu4 F17 -
- Ba15 Cl3 Cu12 F51 -
3
0.25
Fompeyrine, J; Nazabal, V; Darriet, J; Courbion, G
Ba5 Cu4 F17 Cl: a new copper chlorofluoride with chains structure. Structural and magnetic properties
European Journal of Solid State Inorganic Chemistry
1,995
32
977
995
null
0.034
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fompeyrine, J; Nazabal, V; Darriet, J; Courbion, G Ba5 Cu4 F17 Cl: a new copper chlorofluoride with chains structure. Structural and magnetic properties European Journal of Solid State Inorganic Chemistry 32 (1995) 977-995
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/1/00/03/1000397.cif $ #-------------------------------------------------------------------...
1,000,398
16.07199
0.003
10.822
0.001
7.258
0.001
90
null
101.23
0.01
90
null
1,238.2
null
null
null
null
null
null
null
null
null
4
C 1 2/m 1
-C 2y
12
Strontium sodium aluminium fluoride (7/2/6/34)
- Al6 F34 Na2 Sr7 -
- Al6 F34 Na2 Sr7 -
- Al12 F68 Na4 Sr14 -
2
0.25
Hemon-Ribaud, A; Crosnier-Lopez, M P; Fourquet, J L; Courbion, G
On new fluorides with the jarlite-type structure: crystal structures of Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O
Journal of Fluorine Chemistry
1,994
68
155
163
10.1016/0022-1139(93)03035-K
null
0.026
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hemon-Ribaud, A; Crosnier-Lopez, M P; Fourquet, J L; Courbion, G On new fluorides with the jarlite-type structure: crystal structures of Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O Journal of Fluorine Chemistry 68 (1994) 155-163
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/1/00/03/1000398.cif $ #-------------------------------------------------------------------...
1,000,399
16.90799
0.002
11.406
0.001
7.542
0.001
90
null
101.28
0.01
90
null
1,426.4
null
null
null
null
null
null
null
null
null
5
C 1 2/m 1
-C 2y
12
Barium gallium fluoride hydroxide hydrate (7/6/16/16/2)
- Ba7 F16 Ga6 H20 O18 -
- Ba7 F16 Ga6 H20 O18 -
- Ba14 F32 Ga12 H40 O36 -
2
0.25
Hemon-Ribaud, A; Crosnier-Lopez, M P; Fourquet, J L; Courbion, G
On new fluorides with the jarlite-type structure: crystal structures of Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O
Journal of Fluorine Chemistry
1,994
68
155
163
10.1016/0022-1139(93)03035-K
null
0.029
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hemon-Ribaud, A; Crosnier-Lopez, M P; Fourquet, J L; Courbion, G On new fluorides with the jarlite-type structure: crystal structures of Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O Journal of Fluorine Chemistry 68 (1994) 155-163
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/1/00/03/1000399.cif $ #-------------------------------------------------------------------...
7,206,009
8.8432
0.0011
18.133
0.002
10.7628
0.0013
90
null
111.47
0.003
90
null
1,606.1
0.3
150
2
150
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C38 H46 N6 O2 -
- C38 H46 N6 O2 -
- C76 H92 N12 O4 -
2
0.5
Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S.
A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas
CrystEngComm
2,011
13
11
3665
10.1039/c1ce05207a
0.71073
MoKα
0.0867
0.0413
null
null
0.0588
0.0696
null
null
null
null
null
0.806
null
null
has coordinates
Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S. A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas CrystEngComm 13(11) (2011) 3665
301,863
2025-08-22
13:07:26
#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/60/7206009.cif $ #-------------------------------------------------------------------...
1,000,400
16.16699
0.003
11.013
0.001
15.09
0.002
90
null
101.72
0.01
90
null
2,630.7
null
null
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
Strontium sodium zinc iron fluoride (6/2/1/6/34)
- F34 Fe6 Na1.96 Sr6.04 Zn -
- F34 Fe6 Na1.96 Sr6.04 Zn -
- F136 Fe24 Na7.84 Sr24.16 Zn4 -
4
0.5
Hemon-Ribaud, A; Crosnier-Lopez, M P; Fourquet, J L; Courbion, G
On new fluorides with the jarlite-type structure: crystal structures of Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O
Journal of Fluorine Chemistry
1,994
68
155
163
10.1016/0022-1139(93)03035-K
null
0.067
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hemon-Ribaud, A; Crosnier-Lopez, M P; Fourquet, J L; Courbion, G On new fluorides with the jarlite-type structure: crystal structures of Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O Journal of Fluorine Chemistry 68 (1994) 155-163
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/1/00/04/1000400.cif $ #-------------------------------------------------------------------...
1,000,401
7.645
0.002
7.645
0.002
7.645
0.002
90
null
90
null
90
null
446.8
null
null
null
null
null
null
null
null
null
3
I m -3
-I 2 2 3
204
Niobic acid
- H Nb O3 -
- H1.02 Nb O3 -
- H8.16 Nb8 O24 -
8
0.166667
Fourquet, J-L; Renou, M-F; De Pape, R
La reaction d'echange topotactique Li Nb O3 -> H Nb O3 en milieu acide
Revue de Chimie Minerale
1,984
21
383
390
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fourquet, J-L; Renou, M-F; De Pape, R La reaction d'echange topotactique Li Nb O3 -> H Nb O3 en milieu acide Revue de Chimie Minerale 21 (1984) 383-390
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/1/00/04/1000401.cif $ #-------------------------------------------------------------------...
1,000,402
7.477
0.001
10.862
0.002
6.652
0.001
90
null
90
null
90
null
540.2
null
null
null
null
null
null
null
null
null
4
I m m a
-I 2b 2
74
Iron iron(III) fluoride dihydrate
- F5 Fe2 H4 O2 -
- F5 Fe2 H4 O2 -
- F20 Fe8 H16 O8 -
4
0.25
Laligant, Y; Pannetier, J; Labbe, P; Ferey, G
A new refinement of the crystal structure of the inverse Weberite Fe2 F5 (H2 O)2
Journal of Solid State Chemistry
1,986
62
274
277
10.1016/0022-4596(86)90240-9
null
0.029
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laligant, Y; Pannetier, J; Labbe, P; Ferey, G A new refinement of the crystal structure of the inverse Weberite Fe2 F5 (H2 O)2 Journal of Solid State Chemistry 62 (1986) 274-277
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/1/00/04/1000402.cif $ #-------------------------------------------------------------------...
1,000,403
5.365
0.001
6.95
0.001
7.433
0.001
65.05
0.01
70.26
0.02
73.19
0.02
233
null
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
Barium vanadium copper fluoride (2/2/1/12)
- Ba2 Cu F12 V2 -
- Ba2 Cu F12 V2 -
- Ba2 Cu F12 V2 -
1
0.5
Renaudin, J; Laligant, Y; Samouel, M; de Kozak, A; Ferey, G
Complex copper(II) fluorides III. Crystal structure of Ba2 Cu V2 F12; A new bidimensional M X4 network
Journal of Solid State Chemistry
1,986
62
158
163
10.1016/0022-4596(86)90226-4
null
0.0327
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Renaudin, J; Laligant, Y; Samouel, M; de Kozak, A; Ferey, G Complex copper(II) fluorides III. Crystal structure of Ba2 Cu V2 F12; A new bidimensional M X4 network Journal of Solid State Chemistry 62 (1986) 158-163
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/1/00/04/1000403.cif $ #-------------------------------------------------------------------...
1,000,404
7.472
0.001
10.928
0.001
6.606
0.002
90
null
90
null
90
null
539.4
null
null
null
null
null
null
null
null
null
4
I m m a
-I 2b 2
74
Iron Iron(III) pentafluoride dihydrate
- F5 Fe2 H4 O2 -
- F5 Fe2 H4 O2 -
- F20 Fe8 H16 O8 -
4
0.25
Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G
Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character
Journal of Physics C
1,986
19
1081
1095
10.1088/0022-3719/19/8/007
null
0.0568
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character Journal of Physics C 19 (1986) 1081-1095
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/1/00/04/1000404.cif $ #-------------------------------------------------------------------...
7,206,008
26.903
0.002
26.903
0.002
15.43
0.001
90
null
90
null
120
null
9,671.6
1.2
100
2
100
2
null
null
null
null
6
R -3 m :H
-R 3 2"
166
(Tetrakis(mu-adenine- kN3:kN9)bis(chlorido)dicopper(ii))chloride-methanol (1/2))
[Tetrakis(mu-adenine-kN3:kN9)bis(chlorido)dicopper(II)]chloride- methanol (1/2)]
- C22 H28 Cl4 Cu2 N20 O2 -
- C20 H20 Cl4 Cu2 N20 -
- C180 H180 Cl36 Cu18 N180 -
9
0.25
Thomas-Gipson, J.; Beobide, G.; Castillo, O.; Cepeda, J.; Luque, A.; Pérez-Yáñez, S.; Aguayo, A. T.; Román, P.
Porous supramolecular compound based on paddle-wheel shaped copper(ii)‒adenine dinuclear entities
CrystEngComm
2,011
13
10
3301
10.1039/c1ce05195d
0.71073
MoKα
0.05
0.0337
null
null
0.0822
0.0872
null
null
null
null
null
0.96
null
null
has coordinates
Thomas-Gipson, J.; Beobide, G.; Castillo, O.; Cepeda, J.; Luque, A.; Pérez-Yáñez, S.; Aguayo, A. T.; Román, P. Porous supramolecular compound based on paddle-wheel shaped copper(ii)‒adenine dinuclear entities CrystEngComm 13(10) (2011) 3301
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/60/7206008.cif $ #-------------------------------------------------------------------...
1,000,405
7.469
0.001
10.927
0.001
6.602
0.002
90
null
90
null
90
null
538.8
null
null
null
null
null
null
null
null
null
4
I m m a
-I 2b 2
74
Iron Iron(III) pentafluoride dihydrate
- F5 Fe2 H4 O2 -
- F5 Fe2 H4 O2 -
- F20 Fe8 H16 O8 -
4
0.25
Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G
Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character
Journal of Physics C
1,986
19
1081
1095
10.1088/0022-3719/19/8/007
null
0.0651
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character Journal of Physics C 19 (1986) 1081-1095
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/1/00/04/1000405.cif $ #-------------------------------------------------------------------...
1,000,406
7.47
0.001
10.93
0.001
6.603
0.001
90
null
90
null
90
null
539.1
null
null
null
null
null
null
null
null
null
4
I m m a
-I 2b 2
74
Iron Iron(III) pentafluoride dihydrate
- F5 Fe2 H4 O2 -
- F5 Fe2 H4 O2 -
- F20 Fe8 H16 O8 -
4
0.25
Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G
Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character
Journal of Physics C
1,986
19
1081
1095
10.1088/0022-3719/19/8/007
null
0.0417
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character Journal of Physics C 19 (1986) 1081-1095
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/1/00/04/1000406.cif $ #-------------------------------------------------------------------...
1,000,407
5.1418
0.0001
5.1418
0.0001
12.807
0.0002
90
null
90
null
90
null
338.6
null
null
null
null
null
null
null
null
null
3
I 4/m c m
-I 4 2c
140
Thallium tetrafluoroaluminate - II
- Al F4 Tl -
- Al F4 Tl -
- Al4 F16 Tl4 -
4
0.125
Bulou, A; Nouet, J
Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement
Journal of Physics C
1,987
20
2885
2900
10.1088/0022-3719/20/19/014
null
0.0298
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bulou, A; Nouet, J Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement Journal of Physics C 20 (1987) 2885-2900
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/1/00/04/1000407.cif $ #-------------------------------------------------------------------...
1,000,408
5.1376
0.0002
5.1301
0.0001
12.7822
0.0003
90
null
90.119
0.002
90
null
336.9
null
null
null
null
null
null
null
null
null
3
I 1 2/a 1
-I 2ya
15
Thallium tetrafluoroaluminate - III
- Al F4 Tl -
- Al F4 Tl -
- Al4 F16 Tl4 -
4
0.5
Bulou, A; Nouet, J
Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement
Journal of Physics C
1,987
20
2885
2900
10.1088/0022-3719/20/19/014
null
0.0365
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bulou, A; Nouet, J Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement Journal of Physics C 20 (1987) 2885-2900
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/1/00/04/1000408.cif $ #-------------------------------------------------------------------...
1,000,409
5.1138
0.0002
5.0912
0.0002
12.6878
0.0006
90
null
90.289
0.007
90
null
330.3
null
null
null
null
null
null
null
null
null
3
I 1 2/a 1
-I 2ya
15
Thallium tetrafluoroaluminate - III
- Al F4 Tl -
- Al F4 Tl -
- Al4 F16 Tl4 -
4
0.5
Bulou, A; Nouet, J
Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement
Journal of Physics C
1,987
20
2885
2900
10.1088/0022-3719/20/19/014
null
0.0454
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bulou, A; Nouet, J Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement Journal of Physics C 20 (1987) 2885-2900
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/1/00/04/1000409.cif $ #-------------------------------------------------------------------...
7,206,007
26.82
0.001
26.82
0.001
15.528
0.001
90
null
90
null
120
null
9,673.1
0.8
293
2
293
2
null
null
null
null
6
R -3 m :H
-R 3 2"
166
(Tetrakis(mu-adenine- kN3:kN9)bis(chlorido)dicopper(ii))chloride-methanol (1/2))
[Tetrakis(mu-adenine-kN3:kN9)bis(chlorido)dicopper(II)]chloride- methanol (1/2)]
- C22 H28 Cl4 Cu2 N20 O2 -
- C20 H20 Cl4 Cu2 N20 -
- C180 H180 Cl36 Cu18 N180 -
9
0.25
Thomas-Gipson, J.; Beobide, G.; Castillo, O.; Cepeda, J.; Luque, A.; Pérez-Yáñez, S.; Aguayo, A. T.; Román, P.
Porous supramolecular compound based on paddle-wheel shaped copper(ii)‒adenine dinuclear entities
CrystEngComm
2,011
13
10
3301
10.1039/c1ce05195d
0.71073
MoKα
0.1002
0.0793
null
null
0.2501
0.2601
null
null
null
null
null
1.05
null
null
has coordinates
Thomas-Gipson, J.; Beobide, G.; Castillo, O.; Cepeda, J.; Luque, A.; Pérez-Yáñez, S.; Aguayo, A. T.; Román, P. Porous supramolecular compound based on paddle-wheel shaped copper(ii)‒adenine dinuclear entities CrystEngComm 13(10) (2011) 3301
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/60/7206007.cif $ #-------------------------------------------------------------------...
1,000,410
5.101
0.0003
5.0745
0.0003
12.6324
0.0007
90
null
90.355
0.008
90
null
327
null
null
null
null
null
null
null
null
null
3
I 1 2/a 1
-I 2ya
15
Thallium tetrafluoroaluminate - III
- Al F4 Tl -
- Al F4 Tl -
- Al4 F16 Tl4 -
4
0.5
Bulou, A; Nouet, J
Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement
Journal of Physics C
1,987
20
2885
2900
10.1088/0022-3719/20/19/014
null
0.0463
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bulou, A; Nouet, J Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement Journal of Physics C 20 (1987) 2885-2900
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/1/00/04/1000410.cif $ #-------------------------------------------------------------------...
1,000,411
18.17
0.002
6.652
0.001
10.328
0.001
90
null
117.1
0.01
90
null
1,111.3
null
null
null
null
null
null
null
null
null
3
C 1 2/c 1
-C 2yc
15
Dibarium pentacopper fluoride - α
- Ba2 Cu5 F14 -
- Ba2 Cu5 F14 -
- Ba8 Cu20 F56 -
4
0.5
de Kozak, A.; Samouel, M.; Renaudin, J.; Ferey, G.
Fluorures complexes de cuivre II. V. Structure cristalline de α-Ba~2~Cu~5~F~14~
Revue de Chimie Minerale
1,986
23
352
361
null
0.058
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
de Kozak, A.; Samouel, M.; Renaudin, J.; Ferey, G. Fluorures complexes de cuivre II. V. Structure cristalline de α-Ba~2~Cu~5~F~14~ Revue de Chimie Minerale 23 (1986) 352-361
200,126
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-02 15:02:44 +0300 (Sat, 02 Sep 2017) $ #$Revision: 200126 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/04/1000411.cif $ #-------------------------------------------------------------------...
1,000,412
20.04999
0.01
7.291
0.005
7.834
0.005
90
null
90
null
90
null
1,145.2
null
null
null
null
null
null
null
null
null
6
P n m a
-P 2ac 2n
62
Diguanidinium aluminium pentafluoride dihydrate
- C2 H16 Al F5 N6 O2 -
- C2 H16 Al F5 N6 O2 -
- C8 H64 Al4 F20 N24 O8 -
4
0.5
Fourquet, J L; Plet, F; De Pape, R
La structure cristalline de (C (N H2)3)2 Al F5 (H2 O)2
Revue de Chimie Minerale
1,986
23
183
190
null
0.032
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fourquet, J L; Plet, F; De Pape, R La structure cristalline de (C (N H2)3)2 Al F5 (H2 O)2 Revue de Chimie Minerale 23 (1986) 183-190
200,452
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-11 16:25:09 +0300 (Mon, 11 Sep 2017) $ #$Revision: 200452 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/04/1000412.cif $ #-------------------------------------------------------------------...
1,000,413
14.13
0.005
14.13
0.005
14.13
0.005
90
null
90
null
90
null
2,821.2
null
null
null
null
null
null
null
null
null
5
P a -3
-P 2ac 2ab 3
205
Triguanidinium hexafluoroferrate(III)
- C3 H18 F6 Fe N9 -
- C3 H18 F6 Fe N9 -
- C24 H144 F48 Fe8 N72 -
8
0.333333
Fourquet, J L; Plet, F; Calage, Y; DePape, R
Crystal structure and magnetic characterization of (C (N H2)3)3 Fe F6
Journal of Solid State Chemistry
1,987
69
76
80
10.1016/0022-4596(87)90012-0
null
0.0409
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fourquet, J L; Plet, F; Calage, Y; DePape, R Crystal structure and magnetic characterization of (C (N H2)3)3 Fe F6 Journal of Solid State Chemistry 69 (1987) 76-80
278,158
2022-09-26
15:28:11
#------------------------------------------------------------------------------ #$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $ #$Revision: 278158 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/04/1000413.cif $ #-------------------------------------------------------------------...
1,000,414
5.468
0.002
5.535
0.002
12.547
0.003
90
null
90
null
90
null
379.7
null
null
null
null
null
null
null
null
null
3
P n c b :1
P 2 2 -1bc
50
Dilanthanum niccolate
- La2 Ni O4 -
- La2 Ni O4 -
- La8 Ni4 O16 -
4
0.5
Odier, P; Leblanc, M; Choisnet, J
Structural characterization of an orthorhombic form of La Ni O4
Materials Research Bulletin
1,986
21
787
796
10.1016/0025-5408(86)90163-7
null
0.034
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Odier, P; Leblanc, M; Choisnet, J Structural characterization of an orthorhombic form of La Ni O4 Materials Research Bulletin 21 (1986) 787-796
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/1/00/04/1000414.cif $ #-------------------------------------------------------------------...
1,000,415
3.9236
0.0001
3.9236
0.0001
28.993
0.001
90
null
90
null
90
null
446.3
null
null
null
null
null
null
null
null
null
5
I 4/m m m
-I 4 2
139
Mercury barium praseodymium copper oxide (1.5/2/1.3/2.2/8)
- Ba2 Cu2.2 Hg1.5 O8 Pr1.3 -
- Ba2 Cu2.2 Hg1.5 O8 Pr1.3 -
- Ba4 Cu4.4 Hg3 O16 Pr2.6 -
2
0.0625
Martin, C; Hervieu, M; Van Tendeloo, G; Goutenoire, F; Michel, C; Maignan, A; Raveau, B
A mercury based cuprate with the 2212 structure: Hg2-x (Cu, Pr)x Ba2 Pr Cu2 O8-d
Solid State Communications
1,995
93
1
53
56
10.1016/0038-1098(94)00722-5
null
0.068
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Martin, C; Hervieu, M; Van Tendeloo, G; Goutenoire, F; Michel, C; Maignan, A; Raveau, B A mercury based cuprate with the 2212 structure: Hg2-x (Cu, Pr)x Ba2 Pr Cu2 O8-d Solid State Communications 93(1) (1995) 53-56
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/1/00/04/1000415.cif $ #-------------------------------------------------------------------...
7,206,006
12.3099
0.0014
13.3727
0.0008
13.3738
0.0008
112.618
0.001
97.849
0.001
106.18
0.001
1,876.5
0.3
296
2
296
2
null
null
null
null
7
P -1
-P 1
2
- C40 H44 Ag4 Mo12 N16 O40 Si -
- C40 H44 Ag4 Mo12 N16 O40 Si -
- C40 H44 Ag4 Mo12 N16 O40 Si -
1
0.5
Bai, Yan; Zhang, Guo-Qiang; Dang, Dong-Bin; Ma, Peng-Tao; Gao, Hui; Niu, Jing-Yang
Assembly of polyoxometalate-based inorganic‒organic compounds from silver‒Schiff base building blocks: synthesis, crystal structures and luminescent properties
CrystEngComm
2,011
13
12
4181
10.1039/c1ce05192j
0.71073
MoKα
0.074
0.0727
null
null
0.1919
0.1924
null
null
null
null
null
1.088
null
null
has coordinates,has disorder
Bai, Yan; Zhang, Guo-Qiang; Dang, Dong-Bin; Ma, Peng-Tao; Gao, Hui; Niu, Jing-Yang Assembly of polyoxometalate-based inorganic‒organic compounds from silver‒Schiff base building blocks: synthesis, crystal structures and luminescent properties CrystEngComm 13(12) (2011) 4181
180,391
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:23:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180391 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/60/7206006.cif $ #-------------------------------------------------------------------...
1,000,416
11.118
0.003
3.341
0.001
12.287
0.003
90
null
102.88
0.02
90
null
444.9
null
null
null
null
null
null
null
null
null
3
C 1 2/m 1
-C 2y
12
Calcium thallium(III) oxide (3.1/3.9/9)
- Ca3.06 O9 Tl3.94 -
- Ca3.06 O9 Tl3.94 -
- Ca6.12 O18 Tl7.88 -
2
0.25
Goutenoire, F; Caignaert, V; Hervieu, M; Raveau, B
The calcium thallate Ca3 Tl4 O9, an intergrowth of the Ca Tl2 O4 and Ca2 Tl2 O5 structures, member n=1.5 of the series Can Tl2 On+3
Journal of Solid State Chemistry
1,995
119
134
141
10.1016/0022-4596(95)80020-P
null
0.094
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Goutenoire, F; Caignaert, V; Hervieu, M; Raveau, B The calcium thallate Ca3 Tl4 O9, an intergrowth of the Ca Tl2 O4 and Ca2 Tl2 O5 structures, member n=1.5 of the series Can Tl2 On+3 Journal of Solid State Chemistry 119 (1995) 134-141
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/1/00/04/1000416.cif $ #-------------------------------------------------------------------...
1,000,417
8.9295
0.0009
8.9295
0.0009
5.0642
0.0002
90
null
90
null
120
null
349.7
null
null
null
null
null
null
null
null
null
4
P 3 2 1
P 3 2"
150
Sodium calcium pentafluoroaluminate fluoride - $-beta
- Al Ca F6 Na -
- Al Ca F6 Na -
- Al3 Ca3 F18 Na3 -
3
0.5
Hemon, A; Courbion, G
The Na F - Ca F2 - Al F3 system: structures of $-beta- Na Ca Al F6 and Na4 Ca4 Al7 F33
Journal of Solid State Chemistry
1,990
84
153
164
10.1016/0022-4596(90)90194-3
null
0.032
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hemon, A; Courbion, G The Na F - Ca F2 - Al F3 system: structures of $-beta- Na Ca Al F6 and Na4 Ca4 Al7 F33 Journal of Solid State Chemistry 84 (1990) 153-164
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$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/1/00/04/1000417.cif $ #-------------------------------------------------------------------...
1,000,418
10.781
0.003
10.781
0.003
10.781
0.003
90
null
90
null
90
null
1,253.1
null
null
null
null
null
null
null
null
null
4
I m -3 m
-I 4 2 3
229
Sodium calcium aluminium fluoride (4.03/4/7/33)
- Al7 Ca4 F33 Na4.032 -
- Al7 Ca4 F33 Na4.032 -
- Al14 Ca8 F66 Na8.064 -
2
0.020833
Hemon, A; Courbion, G
The Na F - Ca F2 - Al F3 system: structures of $-beta- Na Ca Al F6 and Na4 Ca4 Al7 F33
Journal of Solid State Chemistry
1,990
84
153
164
10.1016/0022-4596(90)90194-3
null
0.051
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hemon, A; Courbion, G The Na F - Ca F2 - Al F3 system: structures of $-beta- Na Ca Al F6 and Na4 Ca4 Al7 F33 Journal of Solid State Chemistry 84 (1990) 153-164
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$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/1/00/04/1000418.cif $ #-------------------------------------------------------------------...