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float64
siga
float64
b
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sigb
float64
c
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sigc
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alpha
float64
sigalpha
float64
beta
float64
sigbeta
float64
gamma
float64
siggamma
float64
vol
float64
sigvol
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celltemp
float64
sigcelltemp
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diffrtemp
float64
sigdiffrtemp
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cellpressure
float64
sigcellpressure
float64
diffrpressure
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sigdiffrpressure
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thermalhist
string
pressurehist
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nel
string
sg
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sgHall
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sgNumber
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commonname
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chemname
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mineral
string
formula
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calcformula
string
cellformula
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Z
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Zprime
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acce_code
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authors
string
title
string
journal
string
year
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volume
int64
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firstpage
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radType
string
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Rall
float64
Robs
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wRall
float64
wRobs
float64
wRref
float64
RFsqd
float64
RI
float64
gofall
float64
gofobs
float64
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1,007,208
9.7
0.007
9.749
0.008
6.543
0.005
107.23
0.06
106.37
0.06
75.88
0.06
558.3
null
null
null
null
null
null
null
null
null
5
P 1
P 1
1
Potassium cyclo-hexaphosphate nitrate hydrate
- H2 K7 N O22 P6 -
- H2 K7 N O22 P6 -
- H2 K7 N O22 P6 -
1
1
Averbuch-Pouchot, M T; Durif, A
Structural characterization of a series of cyclohexaphosphate nitrates: M~6~P~6~O~18~.MNO~3~.H~2~O. (M=K, NH~4~ and Rb)
European Journal of Solid State Inorganic Chemistry
1,992
29
1161
1172
null
0.029
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Durif, A Structural characterization of a series of cyclohexaphosphate nitrates: M~6~P~6~O~18~.MNO~3~.H~2~O. (M=K, NH~4~ and Rb) European Journal of Solid State Inorganic Chemistry 29 (1992) 1161-1172
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/1/00/72/1007208.cif $ #-------------------------------------------------------------------...
1,007,209
6.622
0.002
10.031
0.004
11.25
0.004
104.06
0.05
101.21
0.05
90.88
0.05
709.5
null
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
Octasodium cyclo-octaphosphate hexahydrate
- H12 Na8 O30 P8 -
- H12 Na8 O30 P8 -
- H12 Na8 O30 P8 -
1
0.5
Schuelke, U; Averbuch-Pouchot, M T; Durif, A
Crystal structure of sodium cyclooctaphosphate hexahydrate, Na~8~P~8~O~24~ . 6H~2~O
Journal of Solid State Chemistry
1,992
98
213
218
10.1016/0022-4596(92)90090-I
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Schuelke, U; Averbuch-Pouchot, M T; Durif, A Crystal structure of sodium cyclooctaphosphate hexahydrate, Na~8~P~8~O~24~ . 6H~2~O Journal of Solid State Chemistry 98 (1992) 213-218
186,542
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-09-13 15:04:05 +0300 (Tue, 13 Sep 2016) $ #$Revision: 186542 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/72/1007209.cif $ #-------------------------------------------------------------------...
7,015,604
12.733
0.0005
12.733
0.0005
8.03
0.0004
90
null
90
null
90
null
1,301.9
0.1
93
2
93
2
null
null
null
null
6
P 4/n c c :2
-P 4a 2ac
130
- C2 H10 F4 N2 O V -
- C2 H10 F4 N2 O V -
- C16 H80 F32 N16 O8 V8 -
8
0.5
Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E.
Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides.
Dalton transactions (Cambridge, England : 2003)
2,011
40
16
4324
4331
10.1039/c0dt01765e
0.71073
MoKα
0.0665
0.0541
null
null
0.1305
0.1354
null
null
null
null
null
1.263
null
null
has coordinates
Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E. Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides. Dalton transactions (Cambridge, England : 2003) 40(16) (2011) 4324-4331
179,860
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:43:39 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179860 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/56/7015604.cif $ #-------------------------------------------------------------------...
1,007,210
15.146
0.006
11.049
0.006
12.189
0.006
117.15
0.04
109.72
0.04
90.54
0.04
1,675.8
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
Ammonium cyclo-octaphosphate - telluric acid dihydrate (1/1)
- H42 N8 O32 P8 Te -
- H42 N8 O32 P8 Te -
- H84 N16 O64 P16 Te2 -
2
1
Averbuch-Pouchot, M - T; Durif, A
Ammonium cyclo-octaphosphate-telluric acid dihydrate adduct
Acta Crystallographica C (39,1983-)
1,993
49
361
363
null
0.031
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M - T; Durif, A Ammonium cyclo-octaphosphate-telluric acid dihydrate adduct Acta Crystallographica C (39,1983-) 49 (1993) 361-363
301,771
2025-08-18
12:22:45
#------------------------------------------------------------------------------ #$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/1/00/72/1007210.cif $ #-------------------------------------------------------------------...
1,007,211
7.977
0.003
9.064
0.006
11.406
0.006
90
null
90.29
0.02
90
null
824.7
null
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
Dicaesium phyllo-dihydrogendiphosphate
- Cs2 H2 O7 P2 -
- Cs2 H2 O7 P2 -
- Cs8 H8 O28 P8 -
4
0.5
Averbuch-Pouchot, M - T; Durif, A
Synthese et structure cristalline du dihydrogenodiphosphate de caesium
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993)
1,993
316
41
46
null
0.034
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M - T; Durif, A Synthese et structure cristalline du dihydrogenodiphosphate de caesium Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993) 316 (1993) 41-46
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/1/00/72/1007211.cif $ #-------------------------------------------------------------------...
1,007,212
19.568
0.01
10.545
0.007
7.773
0.005
90
null
90
null
90
null
1,603.9
null
null
null
null
null
null
null
null
null
4
P n a m
-P 2c 2n
62
Dirubidium phyllo-dihydrogendiphosphate hemihydrate
- H3 O7.5 P2 Rb2 -
- H3.5 O7.5 P2 Rb2 -
- H28 O60 P16 Rb16 -
8
1
Averbuch-Pouchot, M - T; Durif, A
Synthese et structure cristalline du dihydrogenodiphosphate de rubidium hemihydrate: Rb~2~H~2~P~2~O~7~ . 1/2H~2~O
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993)
1,993
316
469
476
null
0.037
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M - T; Durif, A Synthese et structure cristalline du dihydrogenodiphosphate de rubidium hemihydrate: Rb~2~H~2~P~2~O~7~ . 1/2H~2~O Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993) 316 (1993) 469-476
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/1/00/72/1007212.cif $ #-------------------------------------------------------------------...
1,007,213
12.177
0.008
8.703
0.005
8.91
0.005
90
null
117.32
0.05
90
null
838.9
null
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
Diberyllium rubidium triphosphate
- Be2 O10 P3 Rb -
- Be2 O10 P3 Rb -
- Be8 O40 P12 Rb4 -
4
0.5
Averbuch-Pouchot, M - T; Durif, A
Preparation chimique et etude structurale d'un nouveau triphosphate: Be~2~RbP~3~O~10~
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993)
1,993
316
609
614
null
0.017
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M - T; Durif, A Preparation chimique et etude structurale d'un nouveau triphosphate: Be~2~RbP~3~O~10~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993) 316 (1993) 609-614
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/1/00/72/1007213.cif $ #-------------------------------------------------------------------...
1,007,214
8.717
0.007
10.297
0.008
7.409
0.007
104.82
0.02
111.03
0.02
70.96
0.02
579.5
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
Dizinc diammonium cyclo-hexaphosphate octahydrate
- H24 N2 O26 P6 Zn2 -
- H48 N2 O26 P6 Zn2 -
- H48 N2 O26 P6 Zn2 -
1
0.5
Averbuch-Pouchot, M T; Durif, A
Elaboration and crystal structure of zinc-ammonium cyclohexaphosphate octahydrate: Zn~2~(NH~4~)~2~P~6~O~18~ . 8H~2~O
European Journal of Solid State Inorganic Chemistry
1,993
30
573
581
null
0.038
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Durif, A Elaboration and crystal structure of zinc-ammonium cyclohexaphosphate octahydrate: Zn~2~(NH~4~)~2~P~6~O~18~ . 8H~2~O European Journal of Solid State Inorganic Chemistry 30 (1993) 573-581
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/1/00/72/1007214.cif $ #-------------------------------------------------------------------...
7,015,603
14.6312
0.0008
5.7257
0.0003
14.6306
0.0008
90
null
92.216
0.001
90
null
1,224.75
0.11
150
2
150
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C2 H10 F4 N2 O V -
- C2 H10 F4 N2 O V -
- C16 H80 F32 N16 O8 V8 -
8
2
Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E.
Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides.
Dalton transactions (Cambridge, England : 2003)
2,011
40
16
4324
4331
10.1039/c0dt01765e
0.7749
synchrotron
0.0344
0.0306
null
null
0.0812
0.0833
null
null
null
null
null
1.046
null
null
has coordinates
Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E. Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides. Dalton transactions (Cambridge, England : 2003) 40(16) (2011) 4324-4331
179,860
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:43:39 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179860 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/56/7015603.cif $ #-------------------------------------------------------------------...
1,007,215
24.268
0.014
6.7
0.003
20.586
0.013
90
null
112.06
0.06
90
null
3,102.1
null
null
null
null
null
null
null
null
null
4
C 1 c 1
C -2yc
9
Octaammonium cyclo-octaphosphate trihydrate
- H38 N8 O27 P8 -
- H38 N8 O27 P8 -
- H152 N32 O108 P32 -
4
1
Schuelke, U; Averbuch-Pouchot, M T; Durif, A
Preparation and crystal structure of ammonium cyclooctaphosphate trihydrate: (NH~4~)~8~P~8~O~24~ . 3H~2~O
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,993
619
374
380
10.1002/zaac.19936190223
null
0.037
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Schuelke, U; Averbuch-Pouchot, M T; Durif, A Preparation and crystal structure of ammonium cyclooctaphosphate trihydrate: (NH~4~)~8~P~8~O~24~ . 3H~2~O Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 374-380
301,771
2025-08-18
12:22:45
#------------------------------------------------------------------------------ #$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/1/00/72/1007215.cif $ #-------------------------------------------------------------------...
1,007,216
11.315
0.009
10.67
0.01
7.547
0.003
108.72
0.05
100.3
0.02
66.8
0.05
791.7
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
Telluric acid - octapotassium cyclo-octaphosphate - water (1/1/2)
- H10 K8 O32 P8 Te -
- H10 K8 O32 P8 Te -
- H10 K8 O32 P8 Te -
1
0.5
Schuelke, U; Averbuch-Pouchot, M T; Durif, A
Chemical preparation and crystal structure of an adduct between potassium cyclooctaphosphate and telluric acid: Te(OH)~6~ . K~8~P~8~O~24~ . 2H~2~O
Zeitschrift fuer Kristallographie (149,1979-)
1,993
204
143
152
null
0.028
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Schuelke, U; Averbuch-Pouchot, M T; Durif, A Chemical preparation and crystal structure of an adduct between potassium cyclooctaphosphate and telluric acid: Te(OH)~6~ . K~8~P~8~O~24~ . 2H~2~O Zeitschrift fuer Kristallographie (149,1979-) 204 (1993) 143-152
186,542
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-09-13 15:04:05 +0300 (Tue, 13 Sep 2016) $ #$Revision: 186542 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/72/1007216.cif $ #-------------------------------------------------------------------...
1,007,217
12.621
0.004
20.41
0.01
9.365
0.006
90
null
110.45
0.04
90
null
2,260.3
null
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
Octaguanidinium cyclo-octaphosphate dihydrate
- C8 H52 N24 O26 P8 -
- C8 H52 N24 O26 P8 -
- C16 H104 N48 O52 P16 -
2
0.5
Averbuch, - Pouchot M T; Durif, A; Schuelke, U
Guanidinium cyclooctaphosphate dihydrate elaboration and crystal structure
European Journal of Solid State Inorganic Chemistry
1,993
30
741
750
null
0.037
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch, - Pouchot M T; Durif, A; Schuelke, U Guanidinium cyclooctaphosphate dihydrate elaboration and crystal structure European Journal of Solid State Inorganic Chemistry 30 (1993) 741-750
301,771
2025-08-18
12:22:45
#------------------------------------------------------------------------------ #$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/1/00/72/1007217.cif $ #-------------------------------------------------------------------...
1,007,218
27.88
0.1
7.536
0.005
7.378
0.005
90
null
90
null
90
null
1,550.1
null
null
null
null
null
null
null
null
null
5
P m a 2
P 2 -2a
28
Calcium sodium cyclo-tetraphosphate hydrate (1/2/4/5.5)
- Ca H11 Na2 O17.5 P4 -
- Ca H11 Na2 O17.5 P4 -
- Ca4 H44 Na8 O70 P16 -
4
1
Averbuch-Pouchot, M T; Durif, A
Crystal Structures of Two New Types of cyclo-Tetraphosphates: Tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and Calcium disodium cyclo-tetraphosphate 5.5-hydrate
Acta Crystallographica C (39,1983-)
1,988
44
212
216
null
0.066
null
null
null
null
null
null
null
null
null
null
null
1,007,179
null
has coordinates
Averbuch-Pouchot, M T; Durif, A Crystal Structures of Two New Types of cyclo-Tetraphosphates: Tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and Calcium disodium cyclo-tetraphosphate 5.5-hydrate Acta Crystallographica C (39,1983-) 44 (1988) 212-216
287,519
2023-11-10
19:29:20
#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/72/1007218.cif $ #-------------------------------------------------------------------...
7,015,602
7.236
0.006
9.073
0.007
12.154
0.009
74.189
0.013
85.589
0.011
86.022
0.011
764.5
1
150
2
150
2
null
null
null
null
6
P -1
-P 1
2
- C4 H24 F8 N4 O2 V2 -
- C4 H24 F8 N4 O2 V2 -
- C8 H48 F16 N8 O4 V4 -
2
1
Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E.
Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides.
Dalton transactions (Cambridge, England : 2003)
2,011
40
16
4324
4331
10.1039/c0dt01765e
0.7749
synchrotron
0.0994
0.0634
null
null
0.1467
0.1612
null
null
null
null
null
1.029
null
null
has coordinates
Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E. Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides. Dalton transactions (Cambridge, England : 2003) 40(16) (2011) 4324-4331
179,860
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:43:39 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179860 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/56/7015602.cif $ #-------------------------------------------------------------------...
1,007,219
20.38
0.01
12.683
0.005
7.83
0.002
90
null
89.31
null
90
null
2,023.7
null
null
null
null
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
14
Tetracalcium tetrapotassium cyclo-tetraphosphate octahydrate
- Ca4 H16 K4 O44 P12 -
- Ca4 H16 K4 O44 P12 -
- Ca8 H32 K8 O88 P24 -
2
0.5
Averbuch-Pouchot, M T; Durif, A
Crystal Structures of Two New Types of cyclo-Tetraphosphates: Tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and Calcium disodium cyclo-tetraphosphate 5.5-hydrate
Acta Crystallographica C (39,1983-)
1,988
44
212
216
null
0.031
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Durif, A Crystal Structures of Two New Types of cyclo-Tetraphosphates: Tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and Calcium disodium cyclo-tetraphosphate 5.5-hydrate Acta Crystallographica C (39,1983-) 44 (1988) 212-216
186,542
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-09-13 15:04:05 +0300 (Tue, 13 Sep 2016) $ #$Revision: 186542 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/72/1007219.cif $ #-------------------------------------------------------------------...
1,007,220
14.267
0.007
7.305
0.001
10.319
0.004
105.38
0.05
101.03
0.05
87.51
0.05
1,017.8
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
Tetrasilver hexapotassium cyclo-decaphosphate decahydrate
- Ag4 H20 K6 O40 P10 -
- Ag4 H20 K6 O40 P10 -
- Ag4 H20 K6 O40 P10 -
1
0.5
Averbuch-Pouchot, M T; Durif, A; Schuelke, U
Silver-potassium cyclodecaphosphate decahydrate, Ag~4~K~6~P~10~O~30~.10H~2~O: a new example of a phosphoric 10-member ring anion
Journal of Solid State Chemistry
1,992
97
299
304
10.1016/0022-4596(92)90037-V
null
0.046
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Durif, A; Schuelke, U Silver-potassium cyclodecaphosphate decahydrate, Ag~4~K~6~P~10~O~30~.10H~2~O: a new example of a phosphoric 10-member ring anion Journal of Solid State Chemistry 97 (1992) 299-304
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/1/00/72/1007220.cif $ #-------------------------------------------------------------------...
1,007,221
14.038
0.003
13.906
0.008
9.961
0.002
90
null
90
null
90
null
1,944.5
null
null
null
null
null
null
null
null
null
6
P 21 21 21
P 2ac 2ab
19
Triguanidinium phosphate - guanidinium chloride - water (1/1/2)
- C4 H28 Cl N12 O6 P -
- C4 H28 Cl N12 O6 P -
- C16 H112 Cl4 N48 O24 P4 -
4
1
Averbuch-Pouchot, M.-T.; Durif, A.
Synthesis and crystal structure of an adduct between guanidinium monophosphate and guanidinium chloride: [C(NH2)3]3PO4 · [C(NH2)3]Cl · 2H2O
Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers
1,993
317
9
1179
1184
null
0.045
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M.-T.; Durif, A. Synthesis and crystal structure of an adduct between guanidinium monophosphate and guanidinium chloride: [C(NH2)3]3PO4 · [C(NH2)3]Cl · 2H2O Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers 317(9) (1993) 1179-1184
301,771
2025-08-18
12:22:45
#------------------------------------------------------------------------------ #$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/1/00/72/1007221.cif $ #-------------------------------------------------------------------...
7,015,601
6.932
0.006
7.822
0.006
8.129
0.001
110.32
0.03
90.12
0.03
90.95
0.02
413.3
0.5
125
2
125
2
null
null
null
null
6
P -1
-P 1
2
- C2 H14 F4 N2 O2 V -
- C2 H14 F4 N2 O2 V -
- C4 H28 F8 N4 O4 V2 -
2
1
Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E.
Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides.
Dalton transactions (Cambridge, England : 2003)
2,011
40
16
4324
4331
10.1039/c0dt01765e
0.71073
MoKα
0.0949
0.0897
null
null
0.1916
0.1972
null
null
null
null
null
1.193
null
null
has coordinates
Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E. Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides. Dalton transactions (Cambridge, England : 2003) 40(16) (2011) 4324-4331
179,860
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:43:39 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179860 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/56/7015601.cif $ #-------------------------------------------------------------------...
1,007,222
6.905
0.002
9.346
0.003
9.876
0.002
95
0.02
104.36
0.02
107.75
0.03
578.8
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
Disodium lithium cyclo-triphosphate tetrahydrate
- H8 Li Na2 O13 P3 -
- H8 Li Na2 O13 P3 -
- H16 Li2 Na4 O26 P6 -
2
1
Averbuch-Pouchot, M - T; Durif, A
Disodium-lithium cyclotriphosphate tetrahydrate: Na~2~LiP~3~O~9~ . 4H~2~O
European Journal of Solid State Inorganic Chemistry
1,993
30
1075
1082
null
0.019
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M - T; Durif, A Disodium-lithium cyclotriphosphate tetrahydrate: Na~2~LiP~3~O~9~ . 4H~2~O European Journal of Solid State Inorganic Chemistry 30 (1993) 1075-1082
186,542
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-09-13 15:04:05 +0300 (Tue, 13 Sep 2016) $ #$Revision: 186542 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/72/1007222.cif $ #-------------------------------------------------------------------...
1,007,223
20.518
0.007
8.372
0.003
16.652
0.006
90
null
106.55
0.03
90
null
2,741.9
null
null
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
Dicaesium dihydrogendiphosphate - telluric acid (1/1)
- Cs2 H8 O13 P2 Te -
- Cs2 H8 O13 P2 Te -
- Cs16 H64 O104 P16 Te8 -
8
1
Averbuch-Pouchot, M - T; Durif, A
Cs~2~H~2~P~2~O~7~.Te(OH)~6~, a new adduct between a diphosphate andtelluric acid
European Journal of Solid State Inorganic Chemistry
1,993
30
1153
1162
null
0.033
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M - T; Durif, A Cs~2~H~2~P~2~O~7~.Te(OH)~6~, a new adduct between a diphosphate andtelluric acid European Journal of Solid State Inorganic Chemistry 30 (1993) 1153-1162
301,771
2025-08-18
12:22:45
#------------------------------------------------------------------------------ #$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/1/00/72/1007223.cif $ #-------------------------------------------------------------------...
1,007,224
9.455
0.003
9.211
0.004
7.503
0.004
108.17
0.05
109.56
0.05
84.72
0.04
585
null
null
null
null
null
null
null
null
null
7
P -1
-P 1
2
Copper dilithium bis(guanidinium) cyclo-hexaphosphate tetrahydrate
- C2 H20 Cu Li2 N6 O22 P6 -
- C2 H20 Cu Li2 N6 O22 P6 -
- C2 H20 Cu Li2 N6 O22 P6 -
1
0.5
Averbuch-Pouchot, M.-T.; Durif, A.
Copper-dilithium-(bis)guanidinium cyclohexaphosphate tetrahydrate
European Journal of Solid State Inorganic Chemistry
1,993
30
943
951
null
0.024
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M.-T.; Durif, A. Copper-dilithium-(bis)guanidinium cyclohexaphosphate tetrahydrate European Journal of Solid State Inorganic Chemistry 30 (1993) 943-951
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/1/00/72/1007224.cif $ #-------------------------------------------------------------------...
1,007,225
7.651
0.002
21.78999
0.01
6.689
0.002
90
null
113.85
0.03
90
null
1,019.9
null
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
Ammonium dihydrogendiphosphate - telluric acid (1/0.5)
- H13 N2 O10 P2 Te0.5 -
- H13 N2 O10 P2 Te0.5 -
- H52 N8 O40 P8 Te2 -
4
1
Averbuch-Pouchot, M. T.; Durif, A.
Structure of an adduct between diammonium dihydrogendiphoshate and telluric acid: (NH~4~)~2~H~2~P~2~O~7~ . Te(OH)~6~
Acta Crystallographica, Section C: Crystal Structure Communications
1,992
48
6
973
975
10.1107/s0108270191013604
null
0.033
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M. T.; Durif, A. Structure of an adduct between diammonium dihydrogendiphoshate and telluric acid: (NH~4~)~2~H~2~P~2~O~7~ . Te(OH)~6~ Acta Crystallographica, Section C: Crystal Structure Communications 48(6) (1992) 973-975
301,771
2025-08-18
12:22:45
#------------------------------------------------------------------------------ #$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/1/00/72/1007225.cif $ #-------------------------------------------------------------------...
1,007,226
7.999
0.003
7.956
0.003
6.733
0.003
115.18
0.05
80.55
0.05
96.11
0.05
382.2
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
Cadmium dipotassium dichromate dihydrate
- Cd Cr4 H4 K2 O16 -
- Cd Cr4 H4 K2 O16 -
- Cd Cr4 H4 K2 O16 -
1
0.5
Durif, A; Averbuch-Pouchot, M T
Structure du dichromate de cadmium-potassium dihydrate. Cd K2 (Cr2 O7)2 (H2 O)
Acta Crystallographica B (24,1968-38,1982)
1,979
35
1456
1457
10.1107/S0567740879006713
null
0.038
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Durif, A; Averbuch-Pouchot, M T Structure du dichromate de cadmium-potassium dihydrate. Cd K2 (Cr2 O7)2 (H2 O) Acta Crystallographica B (24,1968-38,1982) 35 (1979) 1456-1457
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/1/00/72/1007226.cif $ #-------------------------------------------------------------------...
1,007,227
9.832
0.003
8.651
0.003
7.615
0.003
105.99
0.05
91.34
0.05
102.26
0.05
606.1
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
Dicopper dicaesium cyclo-hexaphosphate octahydrate
- Cs2 Cu2 H16 O26 P6 -
- Cs2 Cu2 H32 O26 P6 -
- Cs2 Cu2 H32 O26 P6 -
1
0.5
Averbuch-Pouchot, M - T; Durif, A
Structure cristalline d'un nouveau type de cyclohexaphosphate, Cu2 Cs2 P6 O18 .8(H2O)
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)
1,994
318
335
340
null
0.029
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M - T; Durif, A Structure cristalline d'un nouveau type de cyclohexaphosphate, Cu2 Cs2 P6 O18 .8(H2O) Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-) 318 (1994) 335-340
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/1/00/72/1007227.cif $ #-------------------------------------------------------------------...
7,015,600
10.256
0.003
7.899
0.004
9.157
0.005
90
null
90
null
90
null
741.8
0.6
125
2
125
2
null
null
null
null
5
P n m a
-P 2ac 2n
62
- C2 H12 F5 N2 V -
- C2 H12 F5 N2 V -
- C8 H48 F20 N8 V4 -
4
0.5
Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E.
Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides.
Dalton transactions (Cambridge, England : 2003)
2,011
40
16
4324
4331
10.1039/c0dt01765e
0.71073
MoKα
0.1226
0.1164
null
null
0.3419
0.3474
null
null
null
null
null
1.168
null
null
has coordinates
Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E. Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides. Dalton transactions (Cambridge, England : 2003) 40(16) (2011) 4324-4331
179,860
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:43:39 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179860 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/56/7015600.cif $ #-------------------------------------------------------------------...
1,007,228
14.05
0.03
17.09
0.04
7.228
0.003
90
null
103.85
0.05
90
null
1,685.1
null
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
Lead rubidium catena-tris(phosphate(V))
- O9 P3 Pb Rb -
- O9 P3 Pb Rb -
- O72 P24 Pb8 Rb8 -
8
2
Prisset, J - L; Averbuch-Pouchot, M - T; Durif, A
The Pb (P O3)2-Rb (P O3) phase-equilibrium crystal structure of Pb Rb (P O3)3
European Journal of Solid State Inorganic Chemistry
1,994
31
37
46
null
0.043
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Prisset, J - L; Averbuch-Pouchot, M - T; Durif, A The Pb (P O3)2-Rb (P O3) phase-equilibrium crystal structure of Pb Rb (P O3)3 European Journal of Solid State Inorganic Chemistry 31 (1994) 37-46
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/1/00/72/1007228.cif $ #-------------------------------------------------------------------...
1,007,229
7.147
0.002
3.655
0.001
15.763
0.008
90
null
90
null
90
null
411.8
null
null
null
null
null
null
null
null
null
4
P n m a
-P 2ac 2n
62
Silver catena-vanadate(V) hydrate
- Ag H2 O4 V -
- Ag H4 O4 V -
- Ag4 H16 O16 V4 -
4
0.5
Averbuch-Pouchot, M - T; Durif, A
Preparation chimique et structure cristalline d'un polyvanadate d'argent hydrate: Ag V O3 . H2 O
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)
1,994
319
1319
1324
null
0.037
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M - T; Durif, A Preparation chimique et structure cristalline d'un polyvanadate d'argent hydrate: Ag V O3 . H2 O Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-) 319 (1994) 1319-1324
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/1/00/72/1007229.cif $ #-------------------------------------------------------------------...
1,007,230
8.726
0.004
12.71
0.006
8.926
0.004
90
null
90
null
90
null
990
null
null
null
null
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
Holmium pentaphosphate *
- Ho O14 P5 -
- Ho O14 P5 -
- Ho4 O56 P20 -
4
0.5
Tranqui, D; Bagieu-Beucher, M; Durif, A
Structure cristalline de l'ultraphosphate d'holmium Ho P5 O14
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)
1,972
95
437
440
null
0.09
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Tranqui, D; Bagieu-Beucher, M; Durif, A Structure cristalline de l'ultraphosphate d'holmium Ho P5 O14 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 95 (1972) 437-440
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/1/00/72/1007230.cif $ #-------------------------------------------------------------------...
1,007,231
7.938
0.002
7.674
0.002
9.556
0.002
113.39
0.04
93.83
0.04
83
0.04
530.2
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
Caesium lithium cyclo-hexaphosphate hydrate (3.1/3/1/1.98)
- Cs3.064 H3.96 Li3 O19.98 P6 -
- Cs3.064 H3.96 Li3 O19.98 P6 -
- Cs3.064 H3.96 Li3 O19.98 P6 -
1
0.5
El Mokhtar, O S M; Rzaigui, M; Said, H; Averbuch-Pouchot, M T; Durif, A
Synthesis and crystal structure of cesium-lithium cyclohexaphosphate dihydrate
Materials Research Bulletin
1,995
30
1049
1054
10.1016/0025-5408(95)00072-0
null
0.022
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
El Mokhtar, O S M; Rzaigui, M; Said, H; Averbuch-Pouchot, M T; Durif, A Synthesis and crystal structure of cesium-lithium cyclohexaphosphate dihydrate Materials Research Bulletin 30 (1995) 1049-1054
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/1/00/72/1007231.cif $ #-------------------------------------------------------------------...
7,015,599
5.5473
0.0005
9.9914
0.0009
7.205
0.0006
90
null
107.822
0.002
90
null
380.18
0.06
100
2
100
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- F3 H4 O2 V -
- F3 H4 O2 V -
- F12 H16 O8 V4 -
4
1
Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E.
Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides.
Dalton transactions (Cambridge, England : 2003)
2,011
40
16
4324
4331
10.1039/c0dt01765e
0.7749
synchrotron
0.0401
0.0372
null
null
0.1181
0.122
null
null
null
null
null
1.103
null
null
has coordinates
Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E. Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides. Dalton transactions (Cambridge, England : 2003) 40(16) (2011) 4324-4331
179,859
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:42:55 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179859 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015599.cif $ #-------------------------------------------------------------------...
1,007,232
7.661
0.001
7.341
0.001
8.518
0.001
114.27
0.01
111.71
0.01
83.83
0.01
405.2
null
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
Tetrahydrazinium cyclotetraphosphate
- H20 N8 O12 P4 -
- H20 N8 O12 P4 -
- H20 N8 O12 P4 -
1
0.5
Thabet, H; Bdiri, M; Jouini, A; Durif, A
Structure du tetrahydrazinium cyclotetraphosphate: (N H2 - N H3)4 P4 O12
Journal of Solid State Chemistry
1,992
101
211
220
10.1016/0022-4596(92)90177-W
null
0.025
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Thabet, H; Bdiri, M; Jouini, A; Durif, A Structure du tetrahydrazinium cyclotetraphosphate: (N H2 - N H3)4 P4 O12 Journal of Solid State Chemistry 101 (1992) 211-220
301,771
2025-08-18
12:22:45
#------------------------------------------------------------------------------ #$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/1/00/72/1007232.cif $ #-------------------------------------------------------------------...
1,007,233
14.773
0.002
15.758
0.003
19.91409
0.0002
90
null
90
null
90
null
4,635.9
null
null
null
null
null
null
null
null
null
5
P n a 21
P 2c -2n
33
Tetracalcium dipotassium cyclo-decaphosphate 16-hydrate
- Ca4 H32 K2 O46 P10 -
- Ca4 H32 K2 O46 P10 -
- Ca16 H128 K8 O184 P40 -
4
1
Averbuch-Pouchot, M-T; Durif, A; Schuelke, U
The calcium-potassium cyclodecaphosphate hexadecahydrate: Ca4 K2 P10 O30 . 16(H2 O)
European Journal of Solid State Inorganic Chemistry
1,996
33
1091
1100
null
0.046
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M-T; Durif, A; Schuelke, U The calcium-potassium cyclodecaphosphate hexadecahydrate: Ca4 K2 P10 O30 . 16(H2 O) European Journal of Solid State Inorganic Chemistry 33 (1996) 1091-1100
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/1/00/72/1007233.cif $ #-------------------------------------------------------------------...
1,007,234
8.52
null
8.52
null
5.21
null
90
null
90
null
90
null
378.2
null
null
null
null
null
null
null
null
null
synthetic at 1350 C
4
P 4 b m
P 4 -2ab
100
Barium titanium silicate
Fresnoite
- Ba2 O8 Si2 Ti -
- Ba2 O8 Si2 Ti -
- Ba4 O16 Si4 Ti2 -
2
0.25
Masse, R; Grenier, J C; Durif, A
Structure cristalline de la fresnoite
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)
1,967
90
20
23
null
0.12
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Masse, R; Grenier, J C; Durif, A Structure cristalline de la fresnoite Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 90 (1967) 20-23
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/1/00/72/1007234.cif $ #-------------------------------------------------------------------...
1,007,235
12.57
null
12.57
null
12.57
null
90
null
90
null
90
null
1,986.1
null
null
null
null
null
null
null
null
null
synthetic
4
I a -3 d
-I 4bd 2c 3
230
Dialuminium tricalcium oxide hexahydrate
Hydrogarnet
- Al2 Ca3 H12 O12 -
- Al2 Ca3 H12 O12 -
- Al16 Ca24 H96 O96 -
8
0.083333
Cohen-Addad, C; Ducros, P; Durif, A; Bertaut, E F; Delapalme, A
Determination de la position des atomes d'hydrogene dans l'hydrogrinat Al2 O3, (Ca O)3 (H2 O)6 par resonance magnetique nucleaire et diffraction neutronique
Journal de Physique (Paris)
1,964
25
478
483
10.1051/jphys:01964002505047800
null
0.13
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Cohen-Addad, C; Ducros, P; Durif, A; Bertaut, E F; Delapalme, A Determination de la position des atomes d'hydrogene dans l'hydrogrinat Al2 O3, (Ca O)3 (H2 O)6 par resonance magnetique nucleaire et diffraction neutronique Journal de Physique (Paris) 25 (1964) 478-483
301,771
2025-08-18
12:22:45
#------------------------------------------------------------------------------ #$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/1/00/72/1007235.cif $ #-------------------------------------------------------------------...
1,007,236
18.32999
0.09
5.45
0.04
9.25
0.06
90
null
90.14
0.08
90
null
924.1
null
null
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
14
Caesium zinc phosphate(V) - III
- Cs O4 P Zn -
- Cs O4 P Zn -
- Cs8 O32 P8 Zn8 -
8
2
Blum, D; Durif, A; Averbuch-Pouchot, M T
Crystal structures of the three forms of Cs Zn P O4
Ferroelectrics
1,986
69
283
292
10.1080/00150198608008201
null
0.043
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Blum, D; Durif, A; Averbuch-Pouchot, M T Crystal structures of the three forms of Cs Zn P O4 Ferroelectrics 69 (1986) 283-292
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/1/00/72/1007236.cif $ #-------------------------------------------------------------------...
1,007,237
9.236
0.006
5.462
0.003
9.342
0.007
90
null
90
null
90
null
471.3
null
null
null
null
null
null
null
null
null
4
P n 21 a
P -2ac -2n
33
Caesium zinc phosphate(V) - II
- Cs O4 P Zn -
- Cs O4 P Zn -
- Cs4 O16 P4 Zn4 -
4
1
Blum, D; Durif, A; Averbuch-Pouchot, M T
Crystal structures of the three forms of Cs Zn P O4
Ferroelectrics
1,986
69
283
292
10.1080/00150198608008201
null
0.041
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Blum, D; Durif, A; Averbuch-Pouchot, M T Crystal structures of the three forms of Cs Zn P O4 Ferroelectrics 69 (1986) 283-292
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/1/00/72/1007237.cif $ #-------------------------------------------------------------------...
7,015,598
12.203
0.004
13.723
0.005
19.511
0.006
95.8751
0.0019
102.746
0.003
114.876
0.004
2,820
1.6
173
2
173
2
null
null
null
null
6
P -1
-P 1
2
- C41 H48 Cl3 Fe N10 O13 -
- C41 H48 Cl3 Fe N10 O13 -
- C82 H96 Cl6 Fe2 N20 O26 -
2
1
Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng
Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase.
Dalton transactions (Cambridge, England : 2003)
2,011
40
24
6433
6439
10.1039/c0dt01760d
0.71073
MoKα
0.0712
0.0643
null
null
0.1769
0.1835
null
null
null
null
null
1.071
null
null
has coordinates,has disorder
Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase. Dalton transactions (Cambridge, England : 2003) 40(24) (2011) 6433-6439
301,847
2025-08-21
11:39:34
#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015598.cif $ #-------------------------------------------------------------------...
1,007,238
9.194
0.003
5.49
0.002
9.388
0.004
90
null
90
null
90
null
473.9
null
null
null
null
null
null
null
null
null
4
P n m a
-P 2ac 2n
62
Caesium zinc phosphate(V) - I
- Cs O4 P Zn -
- Cs O4 P Zn -
- Cs4 O16 P4 Zn4 -
4
0.5
Blum, D; Durif, A; Averbuch-Pouchot, M T
Crystal structures of the three forms of Cs Zn P O4
Ferroelectrics
1,986
69
283
292
10.1080/00150198608008201
null
0.042
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Blum, D; Durif, A; Averbuch-Pouchot, M T Crystal structures of the three forms of Cs Zn P O4 Ferroelectrics 69 (1986) 283-292
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/1/00/72/1007238.cif $ #-------------------------------------------------------------------...
1,007,239
8.75
0.004
12.99
0.006
8.944
0.004
90
null
90
null
90.45
0.01
1,016.6
null
null
null
null
null
null
null
null
null
3
P 1 1 21/b
-P 2bc
14
Samarium pentaphosphate
- O14 P5 Sm -
- O14 P5 Sm -
- O56 P20 Sm4 -
4
1
Tranqui, D; Bagieu, M; Durif, A
Structure cristalline de l'ultraphosphate de Samarium Sm P5 O14
Acta Crystallographica B (24,1968-38,1982)
1,974
30
1751
1755
10.1107/S0567740874005747
null
0.05
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Tranqui, D; Bagieu, M; Durif, A Structure cristalline de l'ultraphosphate de Samarium Sm P5 O14 Acta Crystallographica B (24,1968-38,1982) 30 (1974) 1751-1755
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/1/00/72/1007239.cif $ #-------------------------------------------------------------------...
1,007,240
8.72
null
12.71
null
8.926
null
90
null
90
null
90
null
989.3
null
null
null
null
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
Holmium phyllo-pentaphosphate
- Ho O14 P5 -
- Ho O14 P5 -
- Ho4 O56 P20 -
4
0.5
Durif, A
Les ultraphosphates
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)
1,971
94
314
318
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Durif, A Les ultraphosphates Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 94 (1971) 314-318
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/1/00/72/1007240.cif $ #-------------------------------------------------------------------...
1,007,241
8.703
null
8.197
null
8.613
null
90
null
90
null
90
null
614.4
null
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
Lithium copper catena-phosphate
- Cu Li O9 P3 -
- Cu Li O9 P3 -
- Cu4 Li4 O36 P12 -
4
1
Laugt, M; Durif, A
Etude systematique des phosphates condenses
Seminaire de Chimie de l'Etat Solide 1971-72
1,972
1,972
157
175
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laugt, M; Durif, A Etude systematique des phosphates condenses Seminaire de Chimie de l'Etat Solide 1971-72 1972 (1972) 157-175
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/72/1007241.cif $ #-------------------------------------------------------------------...
1,007,242
10.94
null
12.25
null
7.904
null
90
null
100.49
null
90
null
1,041.6
null
null
null
null
null
null
null
null
null
4
C 1 c 1
C -2yc
9
Dipotassium copper catena-phosphate
- Cu K2 O12 P4 -
- Cu K2 O12 P4 -
- Cu4 K8 O48 P16 -
4
1
Laugt, M; Durif, A
Etude systematique des phosphates condenses
Seminaire de Chimie de l'Etat Solide 1971-72
1,972
1,972
157
175
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laugt, M; Durif, A Etude systematique des phosphates condenses Seminaire de Chimie de l'Etat Solide 1971-72 1972 (1972) 157-175
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/72/1007242.cif $ #-------------------------------------------------------------------...
1,007,243
11.67
0.01
11.67
0.01
12.12
0.01
90
null
90
null
120
null
1,429.5
null
null
null
null
null
null
null
null
null
5
P 63/m
-P 6c
176
Tellurium hexahydroxide - trisodiumcyclo-triphosphate - water (1/2/6)
- H18 Na6 O30 P6 Te -
- H15 Na6 O30 P6 Te -
- H30 Na12 O60 P12 Te2 -
2
0.166667
Boudjada, N; Averbuch-Pouchot, M T; Durif, A
Structure du trimetaphosphate-tellurate de sodium hexahydrate Te (O H)6 (Na3 P3 O9)2 (H2 O)6
Acta Crystallographica B (24,1968-38,1982)
1,981
37
645
647
10.1107/S0567740881003762
null
0.04
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Boudjada, N; Averbuch-Pouchot, M T; Durif, A Structure du trimetaphosphate-tellurate de sodium hexahydrate Te (O H)6 (Na3 P3 O9)2 (H2 O)6 Acta Crystallographica B (24,1968-38,1982) 37 (1981) 645-647
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/1/00/72/1007243.cif $ #-------------------------------------------------------------------...
1,007,244
12.033
0.008
12.033
0.008
10.032
0.008
90
null
90
null
120
null
1,258
null
null
null
null
null
null
null
null
null
5
R 3 m :H
R 3 -2"
160
Triammonium tetrachromatophosphate
- Cr4 H12 N3 O16 P -
- Cr4 H12 N3 O16 P -
- Cr12 H36 N9 O48 P3 -
3
0.166667
Averbuch-Pouchot, M T; Durif, A; Guitel, J C
Crystal structure of an ammonium phospho-chromate: (N H4)3 P Cr4 O16
Journal of Solid State Chemistry
1,981
36
381
384
10.1016/0022-4596(81)90450-3
null
0.054
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Durif, A; Guitel, J C Crystal structure of an ammonium phospho-chromate: (N H4)3 P Cr4 O16 Journal of Solid State Chemistry 36 (1981) 381-384
301,771
2025-08-18
12:22:45
#------------------------------------------------------------------------------ #$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/1/00/72/1007244.cif $ #-------------------------------------------------------------------...
1,007,245
5.142
null
11.93
null
12.95
null
90
null
90
null
90
null
794.4
null
null
null
null
null
null
null
null
null
5
P b c m
-P 2c 2b
57
Ammonium cobalt catena-phosphate
- Co H4 N O9 P3 -
- Co H4 N O9 P3 -
- Co4 H16 N4 O36 P12 -
4
0.5
Tranqui, D; Grenier, J C; Durif, A; Guitel, J C
Structure cristalline de la variete orthorhombique du metaphosphate de cobalt-ammonium: Co N H4 (P O3)3
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)
1,967
90
252
256
null
0.13
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Tranqui, D; Grenier, J C; Durif, A; Guitel, J C Structure cristalline de la variete orthorhombique du metaphosphate de cobalt-ammonium: Co N H4 (P O3)3 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 90 (1967) 252-256
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/1/00/72/1007245.cif $ #-------------------------------------------------------------------...
7,015,597
12.11
0.002
12.182
0.003
17.153
0.003
93.438
0.004
92.457
0.003
91.588
0.004
2,522.4
0.9
298
2
298
2
null
null
null
null
6
P -1
-P 1
2
- C39 H45 Cl2 Fe N10 O10 -
- C39 H45 Cl2 Fe N10 O10 -
- C78 H90 Cl4 Fe2 N20 O20 -
2
1
Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng
Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase.
Dalton transactions (Cambridge, England : 2003)
2,011
40
24
6433
6439
10.1039/c0dt01760d
0.71073
MoKα
0.1212
0.0953
null
null
0.2601
0.2883
null
null
null
null
null
1.073
null
null
has coordinates,has disorder
Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase. Dalton transactions (Cambridge, England : 2003) 40(24) (2011) 6433-6439
179,859
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:42:55 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179859 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015597.cif $ #-------------------------------------------------------------------...
1,007,246
6.7855
0.0005
6.7855
0.0005
16.30099
0.002
90
null
90
null
120
null
650
null
null
null
null
null
null
null
null
null
2
R 3 :H
R 3
146
Iron arsenide (12/5)
- As5 Fe12 -
- As5 Fe12 -
- As15 Fe36 -
3
0.333333
Maaref, S; Maddar, R; Chaudouet, P; Fruchart, R; Senateur, J P; Averbuch-Pouchot, M T; Bacmann, M; Durif, A; Wolfers, P
Etude de la structure et des conditions de stabilite d'un nouvel arseniure de fer: Fe12 As5
Materials Research Bulletin
1,983
18
473
480
10.1016/0025-5408(83)90139-3
null
0.039
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Maaref, S; Maddar, R; Chaudouet, P; Fruchart, R; Senateur, J P; Averbuch-Pouchot, M T; Bacmann, M; Durif, A; Wolfers, P Etude de la structure et des conditions de stabilite d'un nouvel arseniure de fer: Fe12 As5 Materials Research Bulletin 18 (1983) 473-480
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/1/00/72/1007246.cif $ #-------------------------------------------------------------------...
1,007,247
5.212
0.003
9.913
0.005
4.475
0.003
90
null
97.46
0.1
90
null
229.3
null
null
null
null
null
null
null
null
null
3
P 1 21/a 1
-P 2yab
14
Dinickel diphosphate
- Ni2 O7 P2 -
- Ni2 O7 P2 -
- Ni4 O14 P4 -
2
0.5
Masse, R; Guitel, J C; Durif, A
Structure cristalline d'une nouvelle variante de pyrophosphate de nickel Ni2 P2 O7
Materials Research Bulletin
1,979
14
337
341
10.1016/0025-5408(79)90098-9
null
0.041
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Masse, R; Guitel, J C; Durif, A Structure cristalline d'une nouvelle variante de pyrophosphate de nickel Ni2 P2 O7 Materials Research Bulletin 14 (1979) 337-341
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/1/00/72/1007247.cif $ #-------------------------------------------------------------------...
1,007,248
11.549
0.005
11.549
0.005
9.114
0.005
90
null
90
null
120
null
1,052.8
null
null
null
null
null
null
null
null
null
4
P 3 1 c
P 3 -2c
159
Barium tetracaesium hexakis(phosphate(V))
- Ba Cs4 O18 P6 -
- Ba Cs4 O18 P6 -
- Ba2 Cs8 O36 P12 -
2
0.333333
Averbuch-Pouchot, M T; Durif, A
Structure of monobarium tetracaesium polyphosphate
Acta Crystallographica C (39,1983-)
1,986
42
928
930
null
0.05
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Durif, A Structure of monobarium tetracaesium polyphosphate Acta Crystallographica C (39,1983-) 42 (1986) 928-930
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/1/00/72/1007248.cif $ #-------------------------------------------------------------------...
1,007,249
13.084
0.005
13.084
0.005
34.79999
0.02
90
null
90
null
120
null
5,159.3
null
null
null
null
null
null
null
null
null
5
R -3 c :H
-R 3 2"c
167
Potassium cyclo-hexaphosphate(V) bis(hexahydrogentellurate) trihydrate
- H18 K6 O33 P6 Te2 -
- H31 K6 O33 P6 Te2 -
- H186 K36 O198 P36 Te12 -
6
0.166667
Averbuch-Pouchot, M T; Durif, A
Crystal chemistry of cyclo-hexaphosphates. XVI.Structures of potassium cyclo-hexaphosphate ditellurate trihydrate and rubidium cyclo- hexaphosphate tritellurate tetrahydrate
Acta Crystallographica C (39,1983-)
1,991
47
1576
1579
null
0.03
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Durif, A Crystal chemistry of cyclo-hexaphosphates. XVI.Structures of potassium cyclo-hexaphosphate ditellurate trihydrate and rubidium cyclo- hexaphosphate tritellurate tetrahydrate Acta Crystallographica C (39,1983-) 47 (1991) 1576-1579
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/1/00/72/1007249.cif $ #-------------------------------------------------------------------...
1,007,250
11.957
0.005
11.957
0.005
12.27
0.005
90
null
90
null
90
null
1,754.2
null
null
null
null
null
null
null
null
null
4
P 41 21 2
P 4abw 2nw
92
Trilead bis(cyclo-triphosphate(V)) trihydrate
- H6 O21 P6 Pb3 -
- H6 O21 P6 Pb3 -
- H24 O84 P24 Pb12 -
4
0.5
Brunel-Lauegt, M; Tordjman, I; Durif, A
Structure cristalline du trimetaphosphate de plomb trihydrate, Pb3 (P3 O9)2 (H2 O)3
Acta Crystallographica B (24,1968-38,1982)
1,976
32
3246
3249
10.1107/S0567740876010030
null
0.07
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Brunel-Lauegt, M; Tordjman, I; Durif, A Structure cristalline du trimetaphosphate de plomb trihydrate, Pb3 (P3 O9)2 (H2 O)3 Acta Crystallographica B (24,1968-38,1982) 32 (1976) 3246-3249
186,636
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-09-18 06:05:46 +0300 (Sun, 18 Sep 2016) $ #$Revision: 186636 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/72/1007250.cif $ #-------------------------------------------------------------------...
7,015,596
12.386
0.003
14.209
0.002
14.775
0.003
73.413
0.016
72.856
0.014
75.288
0.016
2,340.1
0.8
173
2
173
2
null
null
null
null
6
P -1
-P 1
2
- C42 H49 Cl3 Fe N11 O13 -
- C42 H49 Cl3 Fe N11 O13 -
- C84 H98 Cl6 Fe2 N22 O26 -
2
1
Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng
Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase.
Dalton transactions (Cambridge, England : 2003)
2,011
40
24
6433
6439
10.1039/c0dt01760d
0.71073
MoKα
0.0892
0.0777
null
null
0.2217
0.2325
null
null
null
null
null
1.063
null
null
has coordinates,has disorder
Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase. Dalton transactions (Cambridge, England : 2003) 40(24) (2011) 6433-6439
301,847
2025-08-21
11:39:34
#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015596.cif $ #-------------------------------------------------------------------...
1,007,251
14.94
0.01
9.192
0.007
7.219
0.005
90
null
90.79
0.01
90
null
991.3
null
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
Cadmium barium tetrakis(catena-phosphate(V))
- Ba Cd O12 P4 -
- Ba Cd O12 P4 -
- Ba4 Cd4 O48 P16 -
4
1
Averbuch-Pouchot, M T; Durif, A; Guitel, J C
Structure cristalline du polyphophate de cadmium-baryum: Cd Ba (P O3)4
Acta Crystallographica B (24,1968-38,1982)
1,975
31
2453
2456
10.1107/S0567740875007789
null
0.033
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Durif, A; Guitel, J C Structure cristalline du polyphophate de cadmium-baryum: Cd Ba (P O3)4 Acta Crystallographica B (24,1968-38,1982) 31 (1975) 2453-2456
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/1/00/72/1007251.cif $ #-------------------------------------------------------------------...
1,007,252
10.766
0.008
10.316
0.008
8.525
0.005
111.39
0.05
115.08
0.05
70.19
0.05
779.2
null
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
Pentazinc bis(triphosphate(V)) 17-hydrate
- H34 O37 P6 Zn5 -
- H34 O37 P6 Zn5 -
- H34 O37 P6 Zn5 -
1
0.5
Averbuch-Pouchot, M T; Durif, A; Guitel, J C
Structure cristalline du tripolyphosphate de zinc heptadecahydrate: Zn5 (P3 O10)2 (H2 O)17
Acta Crystallographica B (24,1968-38,1982)
1,975
31
2482
2486
10.1107/S0567740875007832
null
0.04
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Durif, A; Guitel, J C Structure cristalline du tripolyphosphate de zinc heptadecahydrate: Zn5 (P3 O10)2 (H2 O)17 Acta Crystallographica B (24,1968-38,1982) 31 (1975) 2482-2486
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/1/00/72/1007252.cif $ #-------------------------------------------------------------------...
1,007,253
7.445
0.005
7.445
null
10.17
0.02
90
null
90
null
90
null
563.7
null
null
null
null
null
null
null
null
null
4
I -4
I -4
82
Dipotassium strontium catena-phosphate(V)
- K2 O12 P4 Sr -
- K2 O12 P4 Sr -
- K4 O24 P8 Sr2 -
2
0.25
Tordjman, I; Martin, C; Durif, A
Structure cristalline du tetrametaphosphate de strontium-potassium: Sr K2 (P O3)4
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)
1,967
90
293
298
null
0.07
null
null
null
null
null
null
null
null
null
null
null
1,007,061
null
has coordinates
Tordjman, I; Martin, C; Durif, A Structure cristalline du tetrametaphosphate de strontium-potassium: Sr K2 (P O3)4 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 90 (1967) 293-298
287,519
2023-11-10
19:29:20
#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/72/1007253.cif $ #-------------------------------------------------------------------...
1,007,254
5.55
null
8.85
null
4.805
null
90
null
90
null
90
null
236
null
null
null
null
null
null
null
null
null
5
P m n 21
P 2ac -2
31
Ammonium cobalt phosphate hydrate
- Co H6 N O5 P -
- Co H6 N O5 P -
- Co2 H12 N2 O10 P2 -
2
0.5
Tranqui, D; Durif, A; Guitel, J C; Averbuch-Pouchot, M T
Contribution a l'etude des phosphates ammoniaco-metalliques monohydrates: II. Structure cristalline du phosphate de cobalt-ammonium monohydrate: Co N H4 P O4, H2 O
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)
1,968
91
10
12
null
0.01
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Tranqui, D; Durif, A; Guitel, J C; Averbuch-Pouchot, M T Contribution a l'etude des phosphates ammoniaco-metalliques monohydrates: II. Structure cristalline du phosphate de cobalt-ammonium monohydrate: Co N H4 P O4, H2 O Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 91 (1968)...
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/1/00/72/1007254.cif $ #-------------------------------------------------------------------...
7,015,595
11.8139
0.0013
15.555
0.002
16.3662
0.0019
86.034
0.004
71.979
0.004
89.103
0.005
2,853.1
0.6
173
2
173
2
null
null
null
null
6
P -1
-P 1
2
- C46 H58 Cl3 Fe N12 O14 -
- C46 H58 Cl3 Fe N12 O14 -
- C92 H116 Cl6 Fe2 N24 O28 -
2
1
Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng
Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase.
Dalton transactions (Cambridge, England : 2003)
2,011
40
24
6433
6439
10.1039/c0dt01760d
0.71075
MoKα
0.0676
0.0601
null
null
0.1499
0.1555
null
null
null
null
null
1.062
null
null
has coordinates,has disorder
Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase. Dalton transactions (Cambridge, England : 2003) 40(24) (2011) 6433-6439
301,847
2025-08-21
11:39:34
#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015595.cif $ #-------------------------------------------------------------------...
1,007,255
11.72
0.03
14.89
0.03
16.59
0.03
90
null
90
null
90
null
2,895.1
null
null
null
null
null
null
null
null
null
5
P b c 21
P 2c -2b
29
Sodium tris(chromato)phosphate(V) trihydrate
- Cr3 H6 Na3 O16 P -
- Cr3 H6 Na3 O16 P -
- Cr24 H48 Na24 O128 P8 -
8
2
Averbuch-Pouchot, M T; Durif, A; Guitel, J C
Crystal structure of Na3 P Cr3 O13 (H2 O)13: A new type of chromophosphoric anion
Journal of Solid State Chemistry
1,980
33
325
333
10.1016/0022-4596(80)90153-X
null
0.063
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Durif, A; Guitel, J C Crystal structure of Na3 P Cr3 O13 (H2 O)13: A new type of chromophosphoric anion Journal of Solid State Chemistry 33 (1980) 325-333
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/72/1007255.cif $ #-------------------------------------------------------------------...
1,007,256
8.213
0.002
8.213
0.002
8.213
0.002
90
null
90
null
90
null
554
null
null
null
null
null
null
null
null
null
3
P 43 3 2
P 4acd 2ab 3
212
Trigermanium dizinc oxide
- Ge3 O8 Zn2 -
- Ge3 O8 Zn2 -
- Ge12 O32 Zn8 -
4
0.166667
Joubert, J C; Durif, A
Preparation de spinelles lacunaires par reaction d'echange a l'etat solide.
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,963
256
4403
4405
null
0.09
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Joubert, J C; Durif, A Preparation de spinelles lacunaires par reaction d'echange a l'etat solide. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 256 (1963) 4403-4405
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/1/00/72/1007256.cif $ #-------------------------------------------------------------------...
1,007,257
6.605
null
6.605
null
9.772
null
90
null
90
null
120
null
369.2
null
null
null
null
null
null
null
null
null
4
P -6 c 2
P -6c 2
188
Potassium magnesium tris(catena-phosphate(V))
- K Mg O9 P3 -
- K Mg O9 P3 -
- K2 Mg2 O18 P6 -
2
0.166667
Masse, R; Grenier, J C; Averbuch-Pouchot, M T; Tranqui, D; Durif, A
Etude cristallographique de trimetaphosphates hexagonaux du type M(II) N H4 (P O3)3 (M(II)= Zn, Co, Ca, Cd, Mg, Mn). Etude d'un cycle P3 O9 dans un sel de potassium isomorphe. Mg K (P O3)3
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)
1,967
90
158
161
null
0.093
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Masse, R; Grenier, J C; Averbuch-Pouchot, M T; Tranqui, D; Durif, A Etude cristallographique de trimetaphosphates hexagonaux du type M(II) N H4 (P O3)3 (M(II)= Zn, Co, Ca, Cd, Mg, Mn). Etude d'un cycle P3 O9 dans un sel de potassium isomorphe. Mg K (P O3)3 Bulletin de la Societe Francaise de Mineralogie et de Cristallo...
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/1/00/72/1007257.cif $ #-------------------------------------------------------------------...
1,007,258
15.66
0.05
6.314
0.005
9.818
0.005
90
null
105.4
0.5
90
null
935.9
null
null
null
null
null
null
null
null
null
5
P 1 n 1
P -2yac
7
Telluric acid - ammonium dihydrogenphoshate - diammonium hydrogenphosphate (1/2/1)
- H27 N4 O18 P3 Te -
- H49 N4 O18 P3 Te -
- H98 N8 O36 P6 Te2 -
2
1
Averbuch-Pouchot, M T; Durif, A
Crystal structure of ammonium phosphate tellurate Te (O H)6 (N H4 H2 P O4)2 (N H4)2 H P O4 (T.A.A.P.). Crystal data for two isotypic salts: Te (O H)6 (K H2 P O4)2 K2 H P O4 and Te (O H)6 (N H4 H2 As O4)2 (N H4)2 H As O4
Ferroelectrics
1,984
52
271
279
10.1080/00150198408209395
null
0.033
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Durif, A Crystal structure of ammonium phosphate tellurate Te (O H)6 (N H4 H2 P O4)2 (N H4)2 H P O4 (T.A.A.P.). Crystal data for two isotypic salts: Te (O H)6 (K H2 P O4)2 K2 H P O4 and Te (O H)6 (N H4 H2 As O4)2 (N H4)2 H As O4 Ferroelectrics 52 (1984) 271-279
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/1/00/72/1007258.cif $ #-------------------------------------------------------------------...
7,015,594
15.3381
0.0007
15.3811
0.0007
20.1461
0.0009
73.264
0.001
69.925
0.001
83.937
0.001
4,274.8
0.3
298
2
298
2
null
null
null
null
6
P -1
-P 1
2
- C39.5 H43.5 Cl2 Fe N10.5 O8.5 -
- C39.5 H43.5 Cl2 Fe N10.5 O8.5 -
- C158 H174 Cl8 Fe4 N42 O34 -
4
2
Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng
Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase.
Dalton transactions (Cambridge, England : 2003)
2,011
40
24
6433
6439
10.1039/c0dt01760d
0.71073
MoKα
0.1581
0.0995
null
null
0.2159
0.2493
null
null
null
null
null
1.087
null
null
has coordinates,has disorder
Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase. Dalton transactions (Cambridge, England : 2003) 40(24) (2011) 6433-6439
301,847
2025-08-21
11:39:34
#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015594.cif $ #-------------------------------------------------------------------...
1,007,259
11.813
0.008
7.292
0.003
20.2
0.08
90
null
105.19
0.05
90
null
1,679.2
null
null
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
Tetraammonium sodium triphosphate(V) tetrahydrate
- H24 N4 Na O14 P3 -
- H24 N4 Na O14 P3 -
- H96 N16 Na4 O56 P12 -
4
0.5
Averbuch-Pouchot, M T; Durif, A
Structure of tetraammonium monosodium triphosphate tetrahydrate
Acta Crystallographica C (39,1983-)
1,985
41
1553
1555
null
0.026
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Durif, A Structure of tetraammonium monosodium triphosphate tetrahydrate Acta Crystallographica C (39,1983-) 41 (1985) 1553-1555
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/1/00/72/1007259.cif $ #-------------------------------------------------------------------...
1,007,260
20.29799
0.02
8.73
0.003
8.766
0.003
90
null
109.98
0.06
90
null
1,459.9
null
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
Tribarium dibismuth tetrakis(phosphate(V))
- Ba3 Bi2 O16 P4 -
- Ba3 Bi2 O16 P4 -
- Ba12 Bi8 O64 P16 -
4
0.5
Masse, R; Durif, A
Structure of tribarium dibismuth tetrakis(phosphate)
Acta Crystallographica C (39,1983-)
1,985
41
1717
1718
null
0.038
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Masse, R; Durif, A Structure of tribarium dibismuth tetrakis(phosphate) Acta Crystallographica C (39,1983-) 41 (1985) 1717-1718
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/1/00/72/1007260.cif $ #-------------------------------------------------------------------...
1,007,261
13.524
0.008
8.362
0.005
14.39
0.008
90
null
92.58
0.05
90
null
1,625.7
null
null
null
null
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
Diammonium disodium mercury bis(triphosphate(V))
- H8 Hg N2 Na2 O18 P6 -
- H12 Hg0.9999 N2 Na2.0001 O18 P6 -
- H48 Hg3.9996 N8 Na8.0004 O72 P24 -
4
0.5
Averbuch-Pouchot, M T; Durif, A
Structure of diammonium disodium mercury(II) trimetaphosphate
Acta Crystallographica C (39,1983-)
1,986
42
932
933
null
0.03
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Durif, A Structure of diammonium disodium mercury(II) trimetaphosphate Acta Crystallographica C (39,1983-) 42 (1986) 932-933
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/1/00/72/1007261.cif $ #-------------------------------------------------------------------...
1,007,262
15.36
0.01
7.93
0.005
6.487
0.005
90
null
90.51
0.01
90
null
790.1
null
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
Niobium magnesium diphosphate (2.02/0.98/3)
- Mg0.98 Nb2.02 O21 P6 -
- Mg0.98 Nb2.02 O21 P6 -
- Mg1.96 Nb4.04 O42 P12 -
2
0.5
Averbuch-Pouchot, M T; Durif, A
Crystal data and structure of Nb2 Co (P2 O7)3 and Nb2 Mg (P2 O7)3
Zeitschrift fuer Kristallographie (149,1979-)
1,987
180
195
202
null
0.023
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Durif, A Crystal data and structure of Nb2 Co (P2 O7)3 and Nb2 Mg (P2 O7)3 Zeitschrift fuer Kristallographie (149,1979-) 180 (1987) 195-202
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/1/00/72/1007262.cif $ #-------------------------------------------------------------------...
1,007,263
7.855
0.001
8.61
0.002
11.399
0.004
90
null
90
null
90
null
770.9
null
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
Beryllium potassium tris(phosphate(V))
- Be K O9 P3 -
- Be K O9 P3 -
- Be4 K4 O36 P12 -
4
1
Durif, A; Averbuch-Pouchot, M T; Guitel, J C
Crystal structure of a beryllium-potassium polyphosphate: Be K (P O3)3
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,986
177
139
142
null
0.023
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Durif, A; Averbuch-Pouchot, M T; Guitel, J C Crystal structure of a beryllium-potassium polyphosphate: Be K (P O3)3 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 177 (1986) 139-142
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/1/00/72/1007263.cif $ #-------------------------------------------------------------------...
1,007,264
30.84499
0.015
30.84499
0.015
13.085
0.003
90
null
90
null
120
null
10,781.4
null
null
null
null
null
null
null
null
null
5
R -3 c :H
-R 3 2"c
167
Bismuth trisodium bis(triphosphate(V)) nonahydrate
- Bi H18 Na3 O27 P6 -
- Bi H18 Na3 O27 P6 -
- Bi18 H324 Na54 O486 P108 -
18
0.5
Bagieu-Beucher, M; Durif, A
Preparation and crystal structure of bismuth trisodium trimetaphosphate nonahydrate: Bi Na3 (P3 O9)2 * 9 H2 O
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,987
178
239
247
10.1524/zkri.1987.178.1-4.239
null
0.028
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bagieu-Beucher, M; Durif, A Preparation and crystal structure of bismuth trisodium trimetaphosphate nonahydrate: Bi Na3 (P3 O9)2 * 9 H2 O Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 178 (1987) 239-247
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/1/00/72/1007264.cif $ #-------------------------------------------------------------------...
7,015,593
7.5563
0.0015
6.4524
0.0013
14.574
0.004
90
null
121.23
0.02
90
null
607.6
0.3
93
2
93
2
null
null
null
null
3
P 1 c 1
P -2yc
7
- Al4 Ba Se7 -
- Al4 Ba Se7 -
- Al8 Ba2 Se14 -
2
1
Mei, Dajiang; Yin, Wenlong; Bai, Lei; Lin, Zheshuai; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng
BaAl4Se7: a new infrared nonlinear optical material with a large band gap.
Dalton transactions (Cambridge, England : 2003)
2,011
40
14
3610
3615
10.1039/c0dt01756f
0.71073
MoKα
0.0524
0.0464
null
null
0.0888
0.0908
null
null
null
null
null
1.009
null
null
has coordinates
Mei, Dajiang; Yin, Wenlong; Bai, Lei; Lin, Zheshuai; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng BaAl4Se7: a new infrared nonlinear optical material with a large band gap. Dalton transactions (Cambridge, England : 2003) 40(14) (2011) 3610-3615
179,859
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:42:55 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179859 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015593.cif $ #-------------------------------------------------------------------...
1,007,265
6.8234
0.0005
6.8234
null
16.364
0.002
90
null
90
null
120
null
659.8
null
null
null
null
null
null
null
null
null
3
R 3 :H
R 3
146
Iron ruthenium arsenide (10/2/5)
- As5 Fe10.77 Ru1.23 -
- As5 Fe10.77 Ru1.23 -
- As15 Fe32.31 Ru3.69 -
3
0.333333
Maaref, S; Madar, R; Chaudouet, P; Fruchart, R; Senateur, J P; Averbuch-Pouchot, M T; Bacmann, M; Durif, A; Wolfers, P
Etude des la structure et des conditions de stabilite d'un nouvel arseniure de fer: Fe12 As5
Materials Research Bulletin
1,983
18
473
480
10.1016/0025-5408(83)90139-3
null
0.039
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Maaref, S; Madar, R; Chaudouet, P; Fruchart, R; Senateur, J P; Averbuch-Pouchot, M T; Bacmann, M; Durif, A; Wolfers, P Etude des la structure et des conditions de stabilite d'un nouvel arseniure de fer: Fe12 As5 Materials Research Bulletin 18 (1983) 473-480
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/1/00/72/1007265.cif $ #-------------------------------------------------------------------...
1,007,266
6.886
0.002
9.494
0.003
6.797
0.002
110.07
0.02
104.69
0.02
86.68
0.02
403.5
null
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
Disodium potassium cyclo-triphosphate
- K Na2 O9 P3 -
- K Na2 O9 P3 -
- K2 Na4 O18 P6 -
2
1
Tordjman, I; Durif, A; Cavero-Ghersi, C
Structure cristalline du trimetaphosphate de sodiumpotassium: N A K P3 O9
Acta Crystallographica B (24,1968-38,1982)
1,974
30
2701
2704
10.1107/S0567740874007849
null
0.018
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Tordjman, I; Durif, A; Cavero-Ghersi, C Structure cristalline du trimetaphosphate de sodiumpotassium: N A K P3 O9 Acta Crystallographica B (24,1968-38,1982) 30 (1974) 2701-2704
301,771
2025-08-18
12:22:45
#------------------------------------------------------------------------------ #$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/1/00/72/1007266.cif $ #-------------------------------------------------------------------...
1,008,000
9.559
0.009
8.668
0.008
5.015
0.005
90
null
90
null
90
null
415.5
null
null
null
null
null
null
null
null
null
2
P n m a
-P 2ac 2n
62
Molybdenum hexafluoride
- F6 Mo -
- F6 Mo -
- F24 Mo4 -
4
0.5
Levy, J. H.; Taylor, J. C.; Wilson, P. W.
Structures of fluorides. IX. The orthorhombic form of molybdenum hexafluoride
Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry
1,975
31
398
401
10.1107/S0567740875002890
null
0.11
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Levy, J. H.; Taylor, J. C.; Wilson, P. W. Structures of fluorides. IX. The orthorhombic form of molybdenum hexafluoride Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 31 (1975) 398-401
297,366
2025-01-17
10:57:25
#------------------------------------------------------------------------------ #$Date: 2025-01-17 12:57:22 +0200 (Fri, 17 Jan 2025) $ #$Revision: 297366 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/80/1008000.cif $ #-------------------------------------------------------------------...
1,008,001
10.473
0.004
10.683
0.005
8.629
0.003
101.08
0.01
109.81
0.01
98.87
0.01
865.9
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
Zinc silver hydrogen triphosphate hydrate (2/.6/.4/1/9)
- Ag0.62 H18.38 O19 P3 Zn2 -
- Ag0.62 H27.19 O19 P3 Zn2 -
- Ag1.24 H54.38 O38 P6 Zn4 -
2
1
Averbuch-Pouchot, M T; Guitel, J C
Structure cristalline d'un tripolyphosphate acide mixte zinc-argent nonahydrate: Zn~2~ Ag~0.62~ H~0.38~ P~3~ O~10~ (H~2~ O)~9~
Acta Crystallographica B (24,1968-38,1982)
1,976
32
2270
2274
10.1107/S0567740876007577
null
0.041
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Guitel, J C Structure cristalline d'un tripolyphosphate acide mixte zinc-argent nonahydrate: Zn~2~ Ag~0.62~ H~0.38~ P~3~ O~10~ (H~2~ O)~9~ Acta Crystallographica B (24,1968-38,1982) 32 (1976) 2270-2274
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/1/00/80/1008001.cif $ #-------------------------------------------------------------------...
7,015,592
5.9532
0.0018
6.2031
0.0013
9.25
0.003
90
null
108.2
0.016
90
null
324.5
0.16
293
2
293
2
null
null
null
null
4
P 1 21/m 1
-P 2yb
11
- B Pb S4 Sb -
- B Pb S4 Sb -
- B2 Pb2 S8 Sb2 -
2
0.5
Geng, Lei; Cheng, Wen-Dan; Zhang, Wei-Long; Li, Ye-Yu; Luo, Zhong-Zhen; Zhang, Hao; Lin, Chen-Sheng; He, Zhang-Zhen
Syntheses, crystal structures and characterizations of two new quaternary thioborates: PbMBS4 (M = Sb, Bi).
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4474
4479
10.1039/c0dt01751e
0.71073
MoKα
0.0455
0.0373
null
null
0.0778
0.0828
null
null
null
null
null
1.124
null
null
has coordinates
Geng, Lei; Cheng, Wen-Dan; Zhang, Wei-Long; Li, Ye-Yu; Luo, Zhong-Zhen; Zhang, Hao; Lin, Chen-Sheng; He, Zhang-Zhen Syntheses, crystal structures and characterizations of two new quaternary thioborates: PbMBS4 (M = Sb, Bi). Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4474-4479
179,859
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:42:55 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179859 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015592.cif $ #-------------------------------------------------------------------...
1,008,002
4.99
0.001
4.99
0.001
4.622
0.001
90
null
90
null
120
null
99.7
null
null
null
null
null
null
null
null
null
3
P -3 1 m
-P 3 2
162
DICHROMIUM URANIUM(VI) OXIDE
- Cr2 O6 U -
- Cr2 O6 U -
- Cr2 O6 U -
1
0.083333
Collomb, A; Gondrand, M; Lehmann, M; Capponi, J J; Joubert, J C
Etude par diffractions X et neutronique d'un monocristal de U Cr~2~ O~6~ obtenu par synthese hydrothermale sous tres haute pression. Determination des structures cristallographique et magnetique
Journal of Solid State Chemistry
1,976
16
41
48
10.1016/0022-4596(76)90005-0
null
0.033
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Collomb, A; Gondrand, M; Lehmann, M; Capponi, J J; Joubert, J C Etude par diffractions X et neutronique d'un monocristal de U Cr~2~ O~6~ obtenu par synthese hydrothermale sous tres haute pression. Determination des structures cristallographique et magnetique Journal of Solid State Chemistry 16 (1976) 41-48
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/1/00/80/1008002.cif $ #-------------------------------------------------------------------...
1,008,003
4.99
0.001
4.99
0.001
4.622
0.001
90
null
90
null
120
null
99.7
null
null
null
null
null
null
null
null
null
3
P -3 1 m
-P 3 2
162
DICHROMIUM URANIUM(VI) OXIDE
- Cr2 O6 U -
- Cr2 O6 U -
- Cr2 O6 U -
1
0.083333
Collomb, A; Gondrand, M; Lehmann, M; Capponi, J J; Joubert, J C
Etude par diffractions X et neutronique d'un monocristal de Cr~2~ O~6~ U obtenu par synthese hydrothermale sous tres haute pression. Determination des structures cristallographique et magnetique
Journal of Solid State Chemistry
1,976
16
41
48
10.1016/0022-4596(76)90005-0
null
0.029
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Collomb, A; Gondrand, M; Lehmann, M; Capponi, J J; Joubert, J C Etude par diffractions X et neutronique d'un monocristal de Cr~2~ O~6~ U obtenu par synthese hydrothermale sous tres haute pression. Determination des structures cristallographique et magnetique Journal of Solid State Chemistry 16 (1976) 41-48
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/1/00/80/1008003.cif $ #-------------------------------------------------------------------...
1,008,004
9.9
0.002
8.962
0.002
5.207
0.002
90
null
90
null
90
null
462
null
null
null
null
null
null
null
null
null
2
P n m a
-P 2ac 2n
62
URANIUM(VI) FLUORIDE
- F6 U -
- F6 U -
- F24 U4 -
4
0.5
Levy, J H; Taylor, J C; Wilson, P W
Structure of fluorides. Part XII. single-crystal neutron diffraction study of uranium hexafluoride at 293 K
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)
1,976
1,976
219
224
null
0.09
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Levy, J H; Taylor, J C; Wilson, P W Structure of fluorides. Part XII. single-crystal neutron diffraction study of uranium hexafluoride at 293 K Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1976 (1976) 219-224
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/1/00/80/1008004.cif $ #-------------------------------------------------------------------...
7,015,591
5.971
0.01
6.273
0.009
9.132
0.015
90
null
107.75
0.02
90
null
325.8
0.9
293
2
293
2
null
null
null
null
4
P 1 21/m 1
-P 2yb
11
- B Bi Pb S4 -
- B Bi Pb S4 -
- B2 Bi2 Pb2 S8 -
2
0.5
Geng, Lei; Cheng, Wen-Dan; Zhang, Wei-Long; Li, Ye-Yu; Luo, Zhong-Zhen; Zhang, Hao; Lin, Chen-Sheng; He, Zhang-Zhen
Syntheses, crystal structures and characterizations of two new quaternary thioborates: PbMBS4 (M = Sb, Bi).
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4474
4479
10.1039/c0dt01751e
0.71073
MoKα
0.043
0.0355
null
null
0.0755
0.0791
null
null
null
null
null
1.141
null
null
has coordinates
Geng, Lei; Cheng, Wen-Dan; Zhang, Wei-Long; Li, Ye-Yu; Luo, Zhong-Zhen; Zhang, Hao; Lin, Chen-Sheng; He, Zhang-Zhen Syntheses, crystal structures and characterizations of two new quaternary thioborates: PbMBS4 (M = Sb, Bi). Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4474-4479
179,859
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:42:55 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179859 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015591.cif $ #-------------------------------------------------------------------...
1,008,005
10.714
0.008
10.658
0.008
8.391
0.005
114.51
0.01
103.21
0.01
74.31
0.01
831.9
null
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
DIZINC HYDROGENTRIPHOSPHATE HEXAHYDRATE
- H13 O16 P3 Zn2 -
- H6.5 O16 P3 Zn2 -
- H13 O32 P6 Zn4 -
2
1
Averbuch-Pouchot, M T; Guitel, J C
Structure cristalline du tripolyphosphate acide de zinc hexahydrate, Zn~2~ H P~3~ O~10~ (H~2~ O)~6~
Acta Crystallographica B (24,1968-38,1982)
1,976
32
1670
1673
10.1107/S0567740876006213
null
0.06
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Guitel, J C Structure cristalline du tripolyphosphate acide de zinc hexahydrate, Zn~2~ H P~3~ O~10~ (H~2~ O)~6~ Acta Crystallographica B (24,1968-38,1982) 32 (1976) 1670-1673
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/1/00/80/1008005.cif $ #-------------------------------------------------------------------...
1,008,006
12.407
0.002
7.198
0.001
5.812
0.001
90
null
90
null
90
null
519
null
null
null
null
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
IRON TETRATHIOSILICATE
- Fe2 S4 Si -
- Fe2 S4 Si -
- Fe8 S16 Si4 -
4
0.5
Vincent, H; Bertaut, E
Polyhedral deformations in olivine-type compounds and the crystal structure of Fe~2~ Si S~4~ and Fe~2~ Ge S~4~
Acta Crystallographica B (24,1968-38,1982)
1,976
32
1749
1755
10.1107/S056774087600633X
null
0.032
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Vincent, H; Bertaut, E Polyhedral deformations in olivine-type compounds and the crystal structure of Fe~2~ Si S~4~ and Fe~2~ Ge S~4~ Acta Crystallographica B (24,1968-38,1982) 32 (1976) 1749-1755
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/1/00/80/1008006.cif $ #-------------------------------------------------------------------...
1,008,007
12.467
0.002
7.213
0.001
5.902
0.001
90
null
90
null
90
null
530.7
null
null
null
null
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
IRON TETRATHIOGERMANATE
- Fe2 Ge S4 -
- Fe2 Ge S4 -
- Fe8 Ge4 S16 -
4
0.5
Vincent, H; Bertaut, E
Polyhedral deformations in olivine-type compounds and the crystal structure of Fe~2~ Si S~4~ and Fe~2~ Ge S~4~
Acta Crystallographica B (24,1968-38,1982)
1,976
32
1749
1755
10.1107/S056774087600633X
null
0.044
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Vincent, H; Bertaut, E Polyhedral deformations in olivine-type compounds and the crystal structure of Fe~2~ Si S~4~ and Fe~2~ Ge S~4~ Acta Crystallographica B (24,1968-38,1982) 32 (1976) 1749-1755
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/1/00/80/1008007.cif $ #-------------------------------------------------------------------...
1,008,008
9.525
0.002
9.989
0.003
9.461
0.002
90
null
92.01
null
90
null
899.6
null
null
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
14
DILITHIUM MERCURY CATENA-PHOSPHATE
- Hg Li2 O12 P4 -
- Hg Li2 O12 P4 -
- Hg4 Li8 O48 P16 -
4
1
Averbuch-Pouchot, M T; Tordjman, I; Guitel, J C
Structures cristallines des polyphosphates de cadmium-lithium et de mercure-lithium Cd Li~2~ (P O~3~)~4~ et Hg Li~2~ (P O~3~)~4~
Acta Crystallographica B (24,1968-38,1982)
1,976
32
2953
2956
10.1107/S0567740876009357
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Tordjman, I; Guitel, J C Structures cristallines des polyphosphates de cadmium-lithium et de mercure-lithium Cd Li~2~ (P O~3~)~4~ et Hg Li~2~ (P O~3~)~4~ Acta Crystallographica B (24,1968-38,1982) 32 (1976) 2953-2956
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/1/00/80/1008008.cif $ #-------------------------------------------------------------------...
1,008,009
9.495
0.003
10.15
0.01
9.375
0.003
90
null
90
null
90
null
903.5
null
null
null
null
null
null
null
null
null
4
P n a m
-P 2c 2n
62
DILITHIUM CADMIUM CATENA-PHOSPHATE
- Cd Li2 O12 P4 -
- Cd Li2 O12 P4 -
- Cd4 Li8 O48 P16 -
4
0.5
Averbuch-Pouchot, M T; Tordjman, I; Guitel, J C
Structures cristallines des polyphosphates de cadmium-lithium et de mercure-lithium Cd Li~2~ (P O~3~)~4~ et Hg Li~2~ (P O~3~)~4~
Acta Crystallographica B (24,1968-38,1982)
1,976
32
2953
2956
10.1107/S0567740876009357
null
0.07
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Tordjman, I; Guitel, J C Structures cristallines des polyphosphates de cadmium-lithium et de mercure-lithium Cd Li~2~ (P O~3~)~4~ et Hg Li~2~ (P O~3~)~4~ Acta Crystallographica B (24,1968-38,1982) 32 (1976) 2953-2956
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/1/00/80/1008009.cif $ #-------------------------------------------------------------------...
1,008,010
12.506
0.005
12.506
0.005
12.506
0.005
90
null
90
null
90
null
1,955.9
null
null
null
null
null
null
null
null
null
4
P n -3 m :2
-P 4bc 2bc 3
224
Aquaoxonium dodecatungstophosphate
- H15 O46 P W12 -
- H15 O46 P W12 -
- H30 O92 P2 W24 -
2
0.041667
Brown, G M; Noe-Spirlet, M R; Busing, W R; Levy, H A
Dodecatungstophosphoric acid hexahydrate, (H~5~ O~2~)~3~ (P W~12~ O~40~), the true structure of Keggin's 'pentahydrate' from single crystal X-ray and neutron diffraction data
Acta Crystallographica B (24,1968-38,1982)
1,977
33
1038
1046
10.1107/S0567740877005330
null
0.046
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Brown, G M; Noe-Spirlet, M R; Busing, W R; Levy, H A Dodecatungstophosphoric acid hexahydrate, (H~5~ O~2~)~3~ (P W~12~ O~40~), the true structure of Keggin's 'pentahydrate' from single crystal X-ray and neutron diffraction data Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1038-1046
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/1/00/80/1008010.cif $ #-------------------------------------------------------------------...
7,015,590
14.937
0.003
14.937
0.003
12.059
0.003
90
null
90
null
90
null
2,690.5
1
220
2
220
2
null
null
null
null
5
I 41/a :2
-I 4ad
88
- C12 H12 Cl4 N18 Zn5 -
- C12 H12 Cl4 N18 Zn5 -
- C48 H48 Cl16 N72 Zn20 -
4
0.25
Liu, Ying-Ya; Grzywa, Maciej; Tonigold, Markus; Sastre, German; Schüttrigkeit, Tanja; Leeson, Nicholas S.; Volkmer, Dirk
Photophysical properties of Kuratowski-type coordination compounds [M(II)Zn(4)Cl(4)(Me(2)bta)(6)] (M(II) = Zn or Ru) featuring long-lived excited electronic states.
Dalton transactions (Cambridge, England : 2003)
2,011
40
22
5926
5938
10.1039/c0dt01750g
x-ray
0.71073
mokα
0.0291
0.0225
null
null
0.0477
0.0495
null
null
null
null
null
1.048
null
null
has coordinates
Liu, Ying-Ya; Grzywa, Maciej; Tonigold, Markus; Sastre, German; Schüttrigkeit, Tanja; Leeson, Nicholas S.; Volkmer, Dirk Photophysical properties of Kuratowski-type coordination compounds [M(II)Zn(4)Cl(4)(Me(2)bta)(6)] (M(II) = Zn or Ru) featuring long-lived excited electronic states. Dalton transactions (Cambridge, En...
179,859
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:42:55 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179859 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015590.cif $ #-------------------------------------------------------------------...
1,008,011
12.506
0.005
12.506
0.005
12.506
0.005
90
null
90
null
90
null
1,955.9
null
null
null
null
null
null
null
null
null
4
P n -3 m :2
-P 4bc 2bc 3
224
Aquaoxonium dodecatungstophosphate
- H15 O46 P W12 -
- H27 O46 P W12 -
- H54 O92 P2 W24 -
2
0.041667
Brown, G M; Noe-Spirlet, M R; Busing, W R; Levy, H A
Dodecatungstophosphoric acid hexahydrate, (H~5~ O~2~)~3~ (P W~12~ O~40~), the true structure of Keggin's 'pentahydrate' from single crystal X-ray and neutron diffraction data
Acta Crystallographica B (24,1968-38,1982)
1,977
33
1038
1046
10.1107/S0567740877005330
null
0.059
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Brown, G M; Noe-Spirlet, M R; Busing, W R; Levy, H A Dodecatungstophosphoric acid hexahydrate, (H~5~ O~2~)~3~ (P W~12~ O~40~), the true structure of Keggin's 'pentahydrate' from single crystal X-ray and neutron diffraction data Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1038-1046
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/1/00/80/1008011.cif $ #-------------------------------------------------------------------...
1,008,012
10.454
0.005
10.675
0.005
8.629
0.004
101.14
0.02
109.85
0.02
99.03
0.02
862.5
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
SODIUM DIZINC TRIPHOSPHATE NONAHYDRATE
- H18 Na O19 P3 Zn2 -
- H18 Na O19 P3 Zn2 -
- H36 Na2 O38 P6 Zn4 -
2
1
Averbuch-Pouchot, M T; Guitel, J C
Structure cristalline du tripolyphosphate mixte zinc-sodium nonahydrate : Zn~2~ Na P~3~ O~10~ . 9 H~2~ O
Acta Crystallographica B (24,1968-38,1982)
1,977
33
1427
1431
10.1107/S0567740877006220
null
0.041
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Guitel, J C Structure cristalline du tripolyphosphate mixte zinc-sodium nonahydrate : Zn~2~ Na P~3~ O~10~ . 9 H~2~ O Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1427-1431
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/1/00/80/1008012.cif $ #-------------------------------------------------------------------...
1,008,013
12.076
0.009
8.443
0.007
9.352
0.007
90
null
112.1
0.01
90
null
883.5
null
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
IRON(III) DIHYDROGENTRIPHOSPHATE HYDRATE
- Fe H4 O11 P3 -
- Fe H4 O11 P3 -
- Fe4 H16 O44 P12 -
4
0.5
Averbuch, M T; Guitel, J C
Un tripolyphosphate acide de fer Fe H~2~ P~3~ O~10~ . H~2~ O
Acta Crystallographica B (24,1968-38,1982)
1,977
33
1613
1615
10.1107/S0567740877006669
null
0.043
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch, M T; Guitel, J C Un tripolyphosphate acide de fer Fe H~2~ P~3~ O~10~ . H~2~ O Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1613-1615
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/1/00/80/1008013.cif $ #-------------------------------------------------------------------...
1,008,014
10.038
0.002
14.431
0.002
8.1617
0.0006
90
null
90.85
0.01
90
null
1,182.2
null
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
Molybdenum tellurium oxide (5/1/16)
- Mo5 O16 Te -
- Mo5 O16 Te -
- Mo20 O64 Te4 -
4
1
Arnaud, Y; Guidot, J
Structure cristalline de l'oxyde mixte de molybdene-tellure: Mo~5~ Te O~16~
Acta Crystallographica B (24,1968-38,1982)
1,977
33
2151
2155
10.1107/S0567740877007936
null
0.032
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Arnaud, Y; Guidot, J Structure cristalline de l'oxyde mixte de molybdene-tellure: Mo~5~ Te O~16~ Acta Crystallographica B (24,1968-38,1982) 33 (1977) 2151-2155
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/1/00/80/1008014.cif $ #-------------------------------------------------------------------...
1,008,015
4.8551
null
4.8551
null
4.5326
null
90
null
90
null
120
null
92.5
null
null
null
null
null
null
null
null
null
2
P 63 2 2
P 6c 2c
182
MANGANESE NITRIDE (2/0.9)
- Mn2 N0.86 -
- Mn2 N0.86 -
- Mn6 N2.58 -
3
0.25
Eddine, M N; Bertaut, E F; Maunaye, M
Structure cristallographique de Mn~2~ N~0.86~
Acta Crystallographica B (24,1968-38,1982)
1,977
33
2696
2698
10.1107/S0567740877009261
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Eddine, M N; Bertaut, E F; Maunaye, M Structure cristallographique de Mn~2~ N~0.86~ Acta Crystallographica B (24,1968-38,1982) 33 (1977) 2696-2698
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/1/00/80/1008015.cif $ #-------------------------------------------------------------------...
7,015,589
23.374
0.003
23.374
0.003
23.374
0.003
90
null
90
null
90
null
12,770
3
293
2
293
2
null
null
null
null
7
F d -3 m :2
-F 4vw 2vw 3
227
- C54 H62 Cl4 N20 O2 Ru Zn4 -
- C54 H62.04 Cl4 N20 O2.04 Ru Zn4 -
- C432 H496.32 Cl32 N160 O16.32 Ru8 Zn32 -
8
0.041667
Liu, Ying-Ya; Grzywa, Maciej; Tonigold, Markus; Sastre, German; Schüttrigkeit, Tanja; Leeson, Nicholas S.; Volkmer, Dirk
Photophysical properties of Kuratowski-type coordination compounds [M(II)Zn(4)Cl(4)(Me(2)bta)(6)] (M(II) = Zn or Ru) featuring long-lived excited electronic states.
Dalton transactions (Cambridge, England : 2003)
2,011
40
22
5926
5938
10.1039/c0dt01750g
x-ray
0.71073
MoKα
0.0302
0.0236
null
null
0.0585
0.06
null
null
null
null
null
1.026
null
null
has coordinates,has disorder
Liu, Ying-Ya; Grzywa, Maciej; Tonigold, Markus; Sastre, German; Schüttrigkeit, Tanja; Leeson, Nicholas S.; Volkmer, Dirk Photophysical properties of Kuratowski-type coordination compounds [M(II)Zn(4)Cl(4)(Me(2)bta)(6)] (M(II) = Zn or Ru) featuring long-lived excited electronic states. Dalton transactions (Cambridge, En...
179,859
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:42:55 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179859 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015589.cif $ #-------------------------------------------------------------------...
1,008,016
2.8831
null
2.9638
null
4.1342
null
90
null
90
null
90
null
35.3
null
null
null
null
null
null
null
null
null
3
P n m m :2
-P 2c 2bc
59
Chromium vanadium nitride (0.9/0.1/1)
- Cr0.9375 N V0.0625 -
- Cr0.9375 N V0.0625 -
- Cr1.875 N2 V0.125 -
2
0.25
Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J
Etude cristallographique de Cr~1-x~ V~x~ N a basse temperature
Acta Crystallographica B (24,1968-38,1982)
1,977
33
3010
3013
10.1107/S0567740877010164
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J Etude cristallographique de Cr~1-x~ V~x~ N a basse temperature Acta Crystallographica B (24,1968-38,1982) 33 (1977) 3010-3013
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/1/00/80/1008016.cif $ #-------------------------------------------------------------------...
1,008,017
2.884
null
2.962
null
4.1314
null
90
null
90
null
90
null
35.3
null
null
null
null
null
null
null
null
null
3
P n m m :2
-P 2c 2bc
59
Chromium vanadium nitride (0.9/0.1/1)
- Cr0.875 N V0.125 -
- Cr0.875 N V0.125 -
- Cr1.75 N2 V0.25 -
2
0.25
Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J
Etude cristallographique de Cr~1-x~ V~x~ N a basse temperature
Acta Crystallographica B (24,1968-38,1982)
1,977
33
3010
3013
10.1107/S0567740877010164
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J Etude cristallographique de Cr~1-x~ V~x~ N a basse temperature Acta Crystallographica B (24,1968-38,1982) 33 (1977) 3010-3013
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/1/00/80/1008017.cif $ #-------------------------------------------------------------------...
1,008,018
10.64
0.005
12.35
0.006
15.94
0.006
90
null
94.27
0.01
90
null
2,088.8
null
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Potassium tetrakis(oxalato)hafnate pentahydrate
- C8 H10 Hf K4 O21 -
- C8 H10 Hf K4 O21 -
- C32 H40 Hf4 K16 O84 -
4
1
Tranqui, D.; Boyer, P.; Laugier, J.; Vulliet, P.
Structure cristalline du tetrakisoxalatohafniate de potassium pentahydrate K~4~ Hf (C~2~ O~4~)~4~ (H~2~ O)~5~
Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry
1,977
33
3126
3133
10.1107/S0567740877010395
null
0.024
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Tranqui, D.; Boyer, P.; Laugier, J.; Vulliet, P. Structure cristalline du tetrakisoxalatohafniate de potassium pentahydrate K~4~ Hf (C~2~ O~4~)~4~ (H~2~ O)~5~ Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 33 (1977) 3126-3133
205,550
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-24 15:38:56 +0200 (Wed, 24 Jan 2018) $ #$Revision: 205550 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/80/1008018.cif $ #-------------------------------------------------------------------...
1,008,019
10.211
0.009
16.56
0.01
5.632
0.003
90
null
103.73
0.01
90
null
925.1
null
null
null
null
null
null
null
null
null
6
C 1 c 1
C -2yc
9
Ammonium cadmium sodium diphosphate trihydrate
- Cd H10 N Na O10 P2 -
- Cd H10 N Na O10 P2 -
- Cd4 H40 N4 Na4 O40 P8 -
4
1
Averbuch-Pouchot, M T; Guitel, J C
Donnees cristallochimiques sur deux nouveaux diphosphates mixtes, Ca N H~4~ Na P~2~ O~7~ (H~2~ O)~3~ et Cd N H~4~ Na P~2~ O~7~ (H~2~ O)~3~ et structure cristalline de Cd N H~4~ Na P~2~ O~7~ (H~2~ O)~3~
Acta Crystallographica B (24,1968-38,1982)
1,977
33
3460
3462
10.1107/S0567740877011194
null
0.05
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; Guitel, J C Donnees cristallochimiques sur deux nouveaux diphosphates mixtes, Ca N H~4~ Na P~2~ O~7~ (H~2~ O)~3~ et Cd N H~4~ Na P~2~ O~7~ (H~2~ O)~3~ et structure cristalline de Cd N H~4~ Na P~2~ O~7~ (H~2~ O)~3~ Acta Crystallographica B (24,1968-38,1982) 33 (1977) 3460-3462
176,435
2020-10-21
18:00:00
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1,008,020
9.235
0.005
7.599
0.004
7.148
0.004
96.38
0.01
103.9
0.01
102.06
0.01
469.3
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
Cadmium tetrapotassium bis(cyclo-triphosphate) dihydrate
- Cd H4 K4 O20 P6 -
- Cd H4 K4 O20 P6 -
- Cd H4 K4 O20 P6 -
1
0.5
Averbuch-Pouchot, M T
Donnes cristallochimiques et structure cristalline du trimetaphosphate: Cd K~4~ (P~3~ O~9~)~2~ (H~2~ O)~2~
Acta Crystallographica B (24,1968-38,1982)
1,978
34
20
22
10.1107/S0567740878002228
null
0.04
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T Donnes cristallochimiques et structure cristalline du trimetaphosphate: Cd K~4~ (P~3~ O~9~)~2~ (H~2~ O)~2~ Acta Crystallographica B (24,1968-38,1982) 34 (1978) 20-22
176,435
2020-10-21
18:00:00
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7,015,588
12.284
0.0002
13.229
0.0002
18.391
0.0003
90
null
90
null
90
null
2,988.63
0.08
293
2
293
2
null
null
null
null
5
P b n a
-P 2ac 2b
60
- C13 H24 F3 N O2 -
- C13 H24 F3 N O2 -
- C104 H192 F24 N8 O16 -
8
1
Yang, Pei-Pei; Wang, Xiao-Ling; Li, Li-Cun; Liao, Dai-Zheng
Synthesis, structure and magnetic properties of a novel family of heterometallic nonanuclear Na(I)2Mn(III)6Ln(III) (Ln = Eu, Gd, Tb, Dy) complexes.
Dalton transactions (Cambridge, England : 2003)
2,011
40
16
4155
4161
10.1039/c0dt01746a
0.71073
MoKα
0.0911
0.0789
null
null
0.2211
0.2428
null
null
null
null
null
1.062
null
null
has coordinates,has disorder
Yang, Pei-Pei; Wang, Xiao-Ling; Li, Li-Cun; Liao, Dai-Zheng Synthesis, structure and magnetic properties of a novel family of heterometallic nonanuclear Na(I)2Mn(III)6Ln(III) (Ln = Eu, Gd, Tb, Dy) complexes. Dalton transactions (Cambridge, England : 2003) 40(16) (2011) 4155-4161
179,859
2020-10-21
18:00:00
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1,008,021
14.011
0.016
4.328
0.005
10.005
0.011
90
null
90
null
90
null
606.7
null
null
null
null
null
null
null
null
null
2
C c m m
-C 2c 2c
63
URANIUM(III) IODIDE
- I3 U -
- I3 U -
- I12 U4 -
4
0.25
Levy, J H; Taylor, J C; Wilson, P W
The structure of uranium(III) triiodide by neutron diffraction
Acta Crystallographica B (24,1968-38,1982)
1,975
31
880
882
10.1107/S0567740875003986
null
0.15
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Levy, J H; Taylor, J C; Wilson, P W The structure of uranium(III) triiodide by neutron diffraction Acta Crystallographica B (24,1968-38,1982) 31 (1975) 880-882
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/1/00/80/1008021.cif $ #-------------------------------------------------------------------...
1,008,022
6.221
0.005
6.221
0.005
6.221
0.005
90
null
90
null
90
null
240.8
null
null
null
null
null
null
null
null
null
2
I 4 3 2
I 4 2 3
211
Molybdenum hexafluoride
- F6 Mo -
- F6 Mo -
- F12 Mo2 -
2
0.041667
Levy, J. H.; Sanger, P. L.; Taylor, J. C.; Wilson, P. W.
The structures of fluorides. XI. Cubic harmonic analysis of the neutron diffraction pattern of the body-centred cubic phase of Mo F~6~ at 266 K
Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry
1,975
31
1065
1067
10.1107/S0567740875004505
null
0.103
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Levy, J. H.; Sanger, P. L.; Taylor, J. C.; Wilson, P. W. The structures of fluorides. XI. Cubic harmonic analysis of the neutron diffraction pattern of the body-centred cubic phase of Mo F~6~ at 266 K Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 31 (1975) 1065-1067
301,771
2025-08-18
12:22:45
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1,008,023
4.11
0.01
4.43
0.01
7.63
0.01
90
null
110
0.5
90
null
130.5
null
null
null
null
null
null
null
null
null
2
P 1 21/c 1
-P 2ybc
14
Sulfur nitride
- N S -
- N S -
- N4 S4 -
4
1
Heger, G; Klein, S; Pintschovius, L; Kahlert, H
Determination of the crystal structure of (S N)~x~ by neutron diffraction
Journal of Solid State Chemistry
1,978
23
341
347
10.1016/0022-4596(78)90082-8
null
0.109
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Heger, G; Klein, S; Pintschovius, L; Kahlert, H Determination of the crystal structure of (S N)~x~ by neutron diffraction Journal of Solid State Chemistry 23 (1978) 341-347
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/1/00/80/1008023.cif $ #-------------------------------------------------------------------...