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celltemp
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sigdiffrtemp
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cellpressure
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sigcellpressure
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thermalhist
string
pressurehist
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sg
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sgHall
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sgNumber
int64
commonname
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chemname
string
mineral
string
formula
string
calcformula
string
cellformula
string
Z
int64
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float64
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string
authors
string
title
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journal
string
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int64
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float64
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1,010,373
10
0.05
10
0.05
10
0.05
90
null
90
null
90
null
1,000
null
null
null
null
null
null
null
null
null
4
F -4 3 m
F -4 2 3
216
Dinickel hexacyanoferrate(II)
- C6 Fe N6 Ni2 -
- C6 Fe N6 Ni2 -
- C24 Fe4 N24 Ni8 -
4
0.041667
Rigamonti, R
Struttura e costituzione chimica di alcuni ferrocianuri
Gazzetta Chimica Italiana
1,938
68
803
809
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rigamonti, R Struttura e costituzione chimica di alcuni ferrocianuri Gazzetta Chimica Italiana 68 (1938) 803-809
208,902
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-07-07 04:59:37 +0300 (Sat, 07 Jul 2018) $ #$Revision: 208902 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010373.cif $ #-------------------------------------------------------------------...
1,010,374
10.08
0.05
10.08
0.05
10.08
0.05
90
null
90
null
90
null
1,024.2
null
null
null
null
null
null
null
null
null
5
F -4 3 m
F -4 2 3
216
Dipotassium cobalt hexacyanoferrate(II)
- C6 Co Fe K2 N6 -
- C6 Co Fe K2 N6 -
- C24 Co4 Fe4 K8 N24 -
4
0.041667
Rigamonti, R
Struttura e costituzione chimica di alcuni ferrocianuri
Gazzetta Chimica Italiana
1,938
68
803
809
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rigamonti, R Struttura e costituzione chimica di alcuni ferrocianuri Gazzetta Chimica Italiana 68 (1938) 803-809
208,902
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-07-07 04:59:37 +0300 (Sat, 07 Jul 2018) $ #$Revision: 208902 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010374.cif $ #-------------------------------------------------------------------...
1,010,375
10.12
0.05
10.12
0.05
10.12
0.05
90
null
90
null
90
null
1,036.4
null
null
null
null
null
null
null
null
null
4
F -4 3 m
F -4 2 3
216
Dicobalt hexacyanoferrate(II)
- C6 Co2 Fe N6 -
- C6 Co2 Fe N6 -
- C24 Co8 Fe4 N24 -
4
0.041667
Rigamonti, R
Struttura e costituzione chimica di alcuni ferrocianuri
Gazzetta Chimica Italiana
1,938
68
803
809
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rigamonti, R Struttura e costituzione chimica di alcuni ferrocianuri Gazzetta Chimica Italiana 68 (1938) 803-809
208,902
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-07-07 04:59:37 +0300 (Sat, 07 Jul 2018) $ #$Revision: 208902 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010375.cif $ #-------------------------------------------------------------------...
1,010,376
8.96
0.02
14.87
0.03
3.97
0.01
90
null
90
null
90
null
528.9
null
null
null
null
null
null
null
null
null
4
P n a m
-P 2c 2n
62
Ammonium trichlorocadmate
- Cd Cl3 H4 N -
- Cd Cl3 H4 N -
- Cd4 Cl12 H16 N4 -
4
0.5
Brasseur, H; Pauling, L
The Crystal Structure of Ammonium Cadmium Chloride, N H~4~ Cd Cl~3~
Journal of the American Chemical Society
1,938
60
2886
2890
10.1021/ja01279a016
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Brasseur, H; Pauling, L The Crystal Structure of Ammonium Cadmium Chloride, N H~4~ Cd Cl~3~ Journal of the American Chemical Society 60 (1938) 2886-2890
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010376.cif $ #-------------------------------------------------------------------...
1,010,377
6.56
null
6.56
null
6.56
null
90
null
90
null
90
null
282.3
null
null
null
null
null
null
null
null
null
3
P 21 3
P 2ac 2ab 3
198
Sodium chlorate
- Cl Na O3 -
- Cl Na O3 -
- Cl4 Na4 O12 -
4
0.333333
Dickinson, R G; Goodhue, E A
The Crystal Structures of Sodium Chlorate and Sodium Bromate
Journal of the American Chemical Society
1,921
43
2045
2055
10.1021/ja01442a008
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Dickinson, R G; Goodhue, E A The Crystal Structures of Sodium Chlorate and Sodium Bromate Journal of the American Chemical Society 43 (1921) 2045-2055
301,772
2025-08-18
12:31:56
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010377.cif $ #-------------------------------------------------------------------...
1,010,378
6.71
null
6.71
null
6.71
null
90
null
90
null
90
null
302.1
null
null
null
null
null
null
null
null
null
3
P 21 3
P 2ac 2ab 3
198
Sodium bromate
- Br Na O3 -
- Br Na O3 -
- Br4 Na4 O12 -
4
0.333333
Dickinson, R G; Goodhue, E A
The Crystal Structures of Sodium Chlorate and Sodium Bromate
Journal of the American Chemical Society
1,921
43
2045
2055
10.1021/ja01442a008
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Dickinson, R G; Goodhue, E A The Crystal Structures of Sodium Chlorate and Sodium Bromate Journal of the American Chemical Society 43 (1921) 2045-2055
301,772
2025-08-18
12:31:56
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010378.cif $ #-------------------------------------------------------------------...
1,010,379
9.843
null
9.843
null
9.843
null
90
null
90
null
90
null
953.6
null
null
null
null
null
null
null
null
null
4
F m -3 m
-F 4 2 3
225
Ammonium hexachloroplatinate
- Cl6 H8 N2 Pt -
- Cl6 H8 N2 Pt -
- Cl24 H32 N8 Pt4 -
4
0.020833
Wyckoff, R W G; Posnjak, E
The Crystal Structure of Ammonium Chloroplatinate
Journal of the American Chemical Society
1,921
43
2292
2309
10.1021/ja01444a002
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Wyckoff, R W G; Posnjak, E The Crystal Structure of Ammonium Chloroplatinate Journal of the American Chemical Society 43 (1921) 2292-2309
200,452
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-11 16:25:09 +0300 (Mon, 11 Sep 2017) $ #$Revision: 200452 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010379.cif $ #-------------------------------------------------------------------...
1,010,380
5.67
null
5.67
null
6.81
null
90
null
90
null
90
null
218.9
null
null
null
null
null
null
null
null
null
3
I 4/m c m
-I 4 2c
140
Potassium hydrogendifluoride
- F2 H K -
- F2 H K -
- F8 H4 K4 -
4
0.125
Helmholz, L; Rogers, M T
A Redetermination of the Fluorine - Fluorine Distance in Potassium Bifluoride
Journal of the American Chemical Society
1,939
61
2590
2592
10.1021/ja01265a005
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Helmholz, L; Rogers, M T A Redetermination of the Fluorine - Fluorine Distance in Potassium Bifluoride Journal of the American Chemical Society 61 (1939) 2590-2592
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010380.cif $ #-------------------------------------------------------------------...
7,015,312
13.1311
0.0016
11.9402
0.0015
16.985
0.002
90
null
100.938
0.002
90
null
2,614.7
0.6
291
2
291
2
null
null
null
null
6
C 1 c 1
C -2yc
9
- C24 H24 Cl Co N6 O9 -
- C24 H24 Cl Co N6 O9 -
- C96 H96 Cl4 Co4 N24 O36 -
4
1
Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng
Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings.
Dalton transactions (Cambridge, England : 2003)
2,011
40
19
5200
5209
10.1039/c0dt01472a
0.71073
MoKα
0.0606
0.057
null
null
0.1508
0.153
null
null
null
null
null
1.133
null
null
has coordinates
Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings. Dalton transactions (Cambridge, England : 2003) 40(19) (2011) 5200-5209
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/7/01/53/7015312.cif $ #-------------------------------------------------------------------...
1,010,381
4.17
0.003
4.17
0.003
4.17
0.003
90
null
90
null
90
null
72.5
null
null
null
null
null
null
null
null
null
2
F m -3 m
-F 4 2 3
225
Nickel oxide
- Ni O -
- Ni O -
- Ni4 O4 -
4
0.020833
Thomassen, L
An X-Ray Investigation of the System Cr~2~ O~3~ - Ni O
Journal of the American Chemical Society
1,940
62
1134
1135
10.1021/ja01862a037
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Thomassen, L An X-Ray Investigation of the System Cr~2~ O~3~ - Ni O Journal of the American Chemical Society 62 (1940) 1134-1135
201,954
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 02:32:00 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201954 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010381.cif $ #-------------------------------------------------------------------...
1,010,382
5.38
null
5.38
null
5.38
null
90
null
90
null
90
null
155.7
null
null
null
null
null
null
null
null
null
2
P n -3 :1
P 2 2 3 -1n
201
Lead(I) oxide
- O Pb2 -
- O Pb2 -
- O2 Pb4 -
2
0.083333
Ferrari, A
Il sottossido di piombo
Gazzetta Chimica Italiana
1,926
56
630
637
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ferrari, A Il sottossido di piombo Gazzetta Chimica Italiana 56 (1926) 630-637
303,120
2025-10-31
16:25:08
#------------------------------------------------------------------------------ #$Date: 2025-10-31 18:24:25 +0200 (Fri, 31 Oct 2025) $ #$Revision: 303120 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010382.cif $ #-------------------------------------------------------------------...
1,010,383
6.41
null
6.41
null
5.807
null
90
null
90
null
90
null
238.6
null
null
null
null
null
null
null
null
null
3
P 4/m m m
-P 4 2
123
Strontium hydroxide octahydrate
- H18 O10 Sr -
- H18 O10 Sr -
- H18 O10 Sr -
1
0.0625
Natta, G
Costituzione degli idrosside ed idrati. - Nota III. Sull'idrossido di stronzio ottoidrato
Gazzetta Chimica Italiana
1,928
58
870
882
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Natta, G Costituzione degli idrosside ed idrati. - Nota III. Sull'idrossido di stronzio ottoidrato Gazzetta Chimica Italiana 58 (1928) 870-882
301,772
2025-08-18
12:31:56
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010383.cif $ #-------------------------------------------------------------------...
1,010,384
6.32
null
6.32
null
5.56
null
90
null
90
null
90
null
222.1
null
null
null
null
null
null
null
null
null
3
P 4/m m m
-P 4 2
123
Strontium peroxide octahydrate
- H16 O10 Sr -
- H16 O10 Sr -
- H16 O10 Sr -
1
0.0625
Natta, G
Struttura degli idrossidi ed idrati. - Nota IV. Sul perossido di stronzio ottoidrato
Gazzetta Chimica Italiana
1,932
62
444
456
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Natta, G Struttura degli idrossidi ed idrati. - Nota IV. Sul perossido di stronzio ottoidrato Gazzetta Chimica Italiana 62 (1932) 444-456
301,772
2025-08-18
12:31:56
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010384.cif $ #-------------------------------------------------------------------...
1,010,385
5.76
null
5.76
null
5.76
null
90
null
90
null
90
null
191.1
null
null
null
null
null
null
null
null
null
2
F m -3 m
-F 4 2 3
225
Hydrogen bromide
- Br H -
- Br H -
- Br4 H4 -
4
0.020833
Natta, G
Struttura e polimorfismo degli acidi alogenidrici
Gazzetta Chimica Italiana
1,933
63
425
439
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Natta, G Struttura e polimorfismo degli acidi alogenidrici Gazzetta Chimica Italiana 63 (1933) 425-439
301,772
2025-08-18
12:31:56
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010385.cif $ #-------------------------------------------------------------------...
1,010,386
5.555
0.01
5.64
0.01
6.063
0.01
90
null
90
null
90
null
190
null
null
null
null
null
null
null
null
null
2
F m m m
-F 2 2
69
Hydrogen bromide
- Br H -
- Br H -
- Br4 H4 -
4
0.125
Natta, G
Struttura e polimorfismo degli acidi alogenidrici
Gazzetta Chimica Italiana
1,933
63
425
439
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Natta, G Struttura e polimorfismo degli acidi alogenidrici Gazzetta Chimica Italiana 63 (1933) 425-439
301,772
2025-08-18
12:31:56
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010386.cif $ #-------------------------------------------------------------------...
1,010,387
5.46
null
5.46
null
5.46
null
90
null
90
null
90
null
162.8
null
null
null
null
null
null
null
null
null
2
F m -3 m
-F 4 2 3
225
Hydrogen chloride
- Cl H -
- Cl H -
- Cl4 H4 -
4
0.020833
Natta, G
Struttura e polimorfismo degli acidi alogenidrici
Gazzetta Chimica Italiana
1,933
63
425
439
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Natta, G Struttura e polimorfismo degli acidi alogenidrici Gazzetta Chimica Italiana 63 (1933) 425-439
301,772
2025-08-18
12:31:56
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010387.cif $ #-------------------------------------------------------------------...
1,010,388
5.03
0.02
5.35
0.02
5.71
0.02
90
null
90
null
90
null
153.7
null
null
null
null
null
null
null
null
null
2
F m m m
-F 2 2
69
Hydrogen chloride
- Cl H -
- Cl H -
- Cl4 H4 -
4
0.125
Natta, G
Struttura e polimorfismo degli acidi alogenidrici
Gazzetta Chimica Italiana
1,933
63
425
439
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Natta, G Struttura e polimorfismo degli acidi alogenidrici Gazzetta Chimica Italiana 63 (1933) 425-439
301,772
2025-08-18
12:31:56
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010388.cif $ #-------------------------------------------------------------------...
1,010,389
10.21
null
10.21
null
10.21
null
90
null
90
null
90
null
1,064.3
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Caesium hexachlorogermanate
- Cl6 Cs2 Ge -
- Cl6 Cs2 Ge -
- Cl24 Cs8 Ge4 -
4
0.020833
Laubengayer, A W; Billings, O B; Newkirk, A E
Chlorogermanic Acid and the Chlorogermanates. Properties and Crystal Structure of Cesium Hexachlorogermanate
Journal of the American Chemical Society
1,940
62
546
548
10.1021/ja01860a027
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laubengayer, A W; Billings, O B; Newkirk, A E Chlorogermanic Acid and the Chlorogermanates. Properties and Crystal Structure of Cesium Hexachlorogermanate Journal of the American Chemical Society 62 (1940) 546-548
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010389.cif $ #-------------------------------------------------------------------...
1,010,390
8.426
0.02
8.18
0.02
3.69
0.05
90
null
90
null
90
null
254.3
null
null
null
null
null
null
null
null
null
3
P m a n
-P 2ab 2
53
Ammonium hydrogen fluoride
- F2 H5 N -
- F2 H5 N -
- F8 H20 N4 -
4
0.5
Rogers, M T; Helmholz, L
A Redetermination of the Parameters in Ammonium Bifluoride
Journal of the American Chemical Society
1,940
62
1533
1536
10.1021/ja01863a057
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rogers, M T; Helmholz, L A Redetermination of the Parameters in Ammonium Bifluoride Journal of the American Chemical Society 62 (1940) 1533-1536
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010390.cif $ #-------------------------------------------------------------------...
7,015,311
13.5171
0.0016
22.228
0.003
18.754
0.0017
90
null
131.76
0.005
90
null
4,203.2
0.9
291
2
291
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C72 H64 Cl4 Cu6 N16 O28 -
- C72 H64 Cl4 Cu6 N16 O28 -
- C144 H128 Cl8 Cu12 N32 O56 -
2
0.5
Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng
Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings.
Dalton transactions (Cambridge, England : 2003)
2,011
40
19
5200
5209
10.1039/c0dt01472a
0.71073
MoKα
0.0872
0.0555
null
null
0.1213
0.129
null
null
null
null
null
1.091
null
null
has coordinates,has disorder
Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings. Dalton transactions (Cambridge, England : 2003) 40(19) (2011) 5200-5209
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/7/01/53/7015311.cif $ #-------------------------------------------------------------------...
1,010,391
6.094
null
6.094
null
7.056
null
90
null
90
null
90
null
262
null
null
null
null
null
null
null
null
null
2
I 4/m c m
-I 4 2c
140
Potassium azide
- K N3 -
- K N3 -
- K4 N12 -
4
0.125
Frevel, L K
The Configuration of the Azide Ion
Journal of the American Chemical Society
1,936
58
779
782
10.1021/ja01296a028
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Frevel, L K The Configuration of the Azide Ion Journal of the American Chemical Society 58 (1936) 779-782
301,772
2025-08-18
12:31:56
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010391.cif $ #-------------------------------------------------------------------...
1,010,392
5.481
null
5.481
null
5.481
null
38.72
null
38.72
null
38.72
null
57.9
null
null
null
null
null
null
null
null
null
2
R -3 m :R
-P 3* 2
166
Sodium azide
- N3 Na -
- N3 Na -
- N3 Na -
1
0.083333
Frevel, L K
The Configuration of the Azide Ion
Journal of the American Chemical Society
1,936
58
779
782
10.1021/ja01296a028
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Frevel, L K The Configuration of the Azide Ion Journal of the American Chemical Society 58 (1936) 779-782
301,772
2025-08-18
12:31:56
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010392.cif $ #-------------------------------------------------------------------...
1,010,393
4.408
0.001
4.408
0.001
4.408
0.001
90
null
90
null
90
null
85.6
null
null
null
null
null
null
null
null
null
2
F m -3 m
-F 4 2 3
225
Manganese oxide
- Mn O -
- Mn O -
- Mn4 O4 -
4
0.020833
Fontana, C
Struttura dell'ossido manganoso
Gazzetta Chimica Italiana
1,926
56
396
397
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fontana, C Struttura dell'ossido manganoso Gazzetta Chimica Italiana 56 (1926) 396-397
303,120
2025-10-31
16:25:08
#------------------------------------------------------------------------------ #$Date: 2025-10-31 18:24:25 +0200 (Fri, 31 Oct 2025) $ #$Revision: 303120 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010393.cif $ #-------------------------------------------------------------------...
1,010,394
5.957
0.002
5.957
0.002
5.957
0.002
90
null
90
null
90
null
211.4
null
null
null
null
null
null
null
null
null
2
F m -3 m
-F 4 2 3
225
Europium(II) sulfide
- Eu S -
- Eu S -
- Eu4 S4 -
4
0.020833
Beck, G; Nowacki, W
Herstellung und Kristallstruktur von Eu S und Eu F~2~
Naturwissenschaften
1,938
26
495
496
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Beck, G; Nowacki, W Herstellung und Kristallstruktur von Eu S und Eu F~2~ Naturwissenschaften 26 (1938) 495-496
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010394.cif $ #-------------------------------------------------------------------...
1,010,395
5.796
0.006
5.796
0.006
5.796
0.006
90
null
90
null
90
null
194.7
null
null
null
null
null
null
null
null
null
2
F m -3 m
-F 4 2 3
225
Europium(II) fluoride
- Eu F2 -
- Eu F2 -
- Eu4 F8 -
4
0.020833
Beck, G; Nowacki, W
Herstellung und Kristal-struktur von Eu S und Eu F~2~
Naturwissenschaften
1,938
26
495
496
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Beck, G; Nowacki, W Herstellung und Kristal-struktur von Eu S und Eu F~2~ Naturwissenschaften 26 (1938) 495-496
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010395.cif $ #-------------------------------------------------------------------...
1,010,396
10.1
0.004
10.1
0.004
10.1
0.004
90
null
90
null
90
null
1,030.3
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Rubidium hexachlorostannate
- Cl6 Rb2 Sn -
- Cl6 Rb2 Sn -
- Cl24 Rb8 Sn4 -
4
0.020833
Engel, G
Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ
Naturwissenschaften
1,933
21
704
704
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Engel, G Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ Naturwissenschaften 21 (1933) 704-704
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010396.cif $ #-------------------------------------------------------------------...
1,010,397
10.221
0.004
10.221
0.004
10.221
0.004
90
null
90
null
90
null
1,067.8
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Rubidium hexachlorotellurate(IV)
- Cl6 Rb2 Te -
- Cl6 Rb2 Te -
- Cl24 Rb8 Te4 -
4
0.020833
Engel, G
Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ
Naturwissenschaften
1,933
21
704
704
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Engel, G Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ Naturwissenschaften 21 (1933) 704-704
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010397.cif $ #-------------------------------------------------------------------...
1,010,398
9.882
0.003
9.882
0.003
9.882
0.003
90
null
90
null
90
null
965
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Rubidium hexachloroplatinate
- Cl6 Pt Rb2 -
- Cl6 Pt Rb2 -
- Cl24 Pt4 Rb8 -
4
0.020833
Engel, G
Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ
Naturwissenschaften
1,933
21
704
704
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Engel, G Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ Naturwissenschaften 21 (1933) 704-704
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010398.cif $ #-------------------------------------------------------------------...
1,010,399
10.198
0.003
10.198
0.003
10.198
0.003
90
null
90
null
90
null
1,060.6
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Rubidium hexachloroplumbate
- Cl6 Pb Rb2 -
- Cl6 Pb Rb2 -
- Cl24 Pb4 Rb8 -
4
0.020833
Engel, G
Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ
Naturwissenschaften
1,933
21
704
704
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Engel, G Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ Naturwissenschaften 21 (1933) 704-704
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/03/1010399.cif $ #-------------------------------------------------------------------...
1,010,400
10.348
0.006
10.348
0.006
10.348
0.006
90
null
90
null
90
null
1,108.1
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Caesium hexachlorostannate
- Cl6 Cs2 Sn -
- Cl6 Cs2 Sn -
- Cl24 Cs8 Sn4 -
4
0.020833
Engel, G
Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ
Naturwissenschaften
1,933
21
704
704
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Engel, G Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ Naturwissenschaften 21 (1933) 704-704
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010400.cif $ #-------------------------------------------------------------------...
1,010,401
10.449
0.005
10.449
0.005
10.449
0.005
90
null
90
null
90
null
1,140.8
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Caesium hexachlorotellurate(IV)
- Cl6 Cs2 Te -
- Cl6 Cs2 Te -
- Cl24 Cs8 Te4 -
4
0.020833
Engel, G
Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ
Naturwissenschaften
1,933
21
704
704
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Engel, G Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ Naturwissenschaften 21 (1933) 704-704
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010401.cif $ #-------------------------------------------------------------------...
1,010,402
10.185
0.004
10.185
0.004
10.185
0.004
90
null
90
null
90
null
1,056.5
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Caesium hexachloroplatinate
- Cl6 Cs2 Pt -
- Cl6 Cs2 Pt -
- Cl24 Cs8 Pt4 -
4
0.020833
Engel, G
Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ
Naturwissenschaften
1,933
21
704
704
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Engel, G Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ Naturwissenschaften 21 (1933) 704-704
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010402.cif $ #-------------------------------------------------------------------...
7,015,310
8.2913
0.0018
8.9194
0.0019
9.332
0.002
94.661
0.004
99.624
0.004
101.893
0.004
661
0.2
291
2
291
2
null
null
null
null
6
P -1
-P 1
2
- C22 H18 Cl2 Cu2 N8 O8 -
- C22 H18 Cl2 Cu2 N8 O8 -
- C22 H18 Cl2 Cu2 N8 O8 -
1
0.5
Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng
Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings.
Dalton transactions (Cambridge, England : 2003)
2,011
40
19
5200
5209
10.1039/c0dt01472a
0.71073
MoKα
0.0424
0.0378
null
null
0.0974
0.0993
null
null
null
null
null
0.993
null
null
has coordinates
Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings. Dalton transactions (Cambridge, England : 2003) 40(19) (2011) 5200-5209
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/7/01/53/7015310.cif $ #-------------------------------------------------------------------...
1,010,403
10.415
0.005
10.415
0.005
10.415
0.005
90
null
90
null
90
null
1,129.7
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Caesium hexachloroplumbate
- Cl6 Cs2 Pb -
- Cl6 Cs2 Pb -
- Cl24 Cs8 Pb4 -
4
0.020833
Engel, G
Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ
Naturwissenschaften
1,933
21
704
704
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Engel, G Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ Naturwissenschaften 21 (1933) 704-704
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010403.cif $ #-------------------------------------------------------------------...
1,010,404
4.37
null
4.37
null
4.37
null
90
null
90
null
90
null
83.5
null
null
null
null
null
null
null
null
null
3
P m -3 m
-P 4 2 3
221
Ammonium iodide
- H4 I N -
- H4 I N -
- H4 I N -
1
0.020833
Simon, F; Simson, C von
Ein Umwandlungspunkt der Ammoniumsalze zwischen -30 und -40 Grad
Naturwissenschaften
1,926
14
880
881
10.1007/BF01490355
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Simon, F; Simson, C von Ein Umwandlungspunkt der Ammoniumsalze zwischen -30 und -40 Grad Naturwissenschaften 14 (1926) 880-881
301,772
2025-08-18
12:31:56
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010404.cif $ #-------------------------------------------------------------------...
1,010,405
5.006
null
5.006
null
5.006
null
90
null
90
null
90
null
125.5
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Calcium imide
- Ca H N -
- Ca H N -
- Ca4 H4 N4 -
4
0.020833
Franck, H H; Bredig, M A; Hoffmann, G
Zur Kristallstruktur der Calcium - Stickstoffverbindungen
Naturwissenschaften
1,933
21
330
331
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Franck, H H; Bredig, M A; Hoffmann, G Zur Kristallstruktur der Calcium - Stickstoffverbindungen Naturwissenschaften 21 (1933) 330-331
200,452
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-11 16:25:09 +0300 (Mon, 11 Sep 2017) $ #$Revision: 200452 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010405.cif $ #-------------------------------------------------------------------...
1,010,406
4.377
0.003
4.377
0.003
4.377
0.003
90
null
90
null
90
null
83.9
null
null
null
null
null
null
null
null
null
3
P m -3 m
-P 4 2 3
221
Barium cerium(IV) oxide
- Ba Ce O3 -
- Ba Ce O3 -
- Ba Ce O3 -
1
0.020833
Hoffmann, A
Sauerstoffsaeuren des vierwertigen Cerium und Thorium
Naturwissenschaften
1,934
22
206
206
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hoffmann, A Sauerstoffsaeuren des vierwertigen Cerium und Thorium Naturwissenschaften 22 (1934) 206-206
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010406.cif $ #-------------------------------------------------------------------...
1,010,407
4.48
0.003
4.48
0.003
4.48
0.003
90
null
90
null
90
null
89.9
null
null
null
null
null
null
null
null
null
3
P m -3 m
-P 4 2 3
221
Barium thorium oxide
- Ba O3 Th -
- Ba O3 Th -
- Ba O3 Th -
1
0.020833
Hoffmann, N
Sauerstoffsaeuren des vierwertigen Cerium und Thorium
Naturwissenschaften
1,934
22
206
206
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hoffmann, N Sauerstoffsaeuren des vierwertigen Cerium und Thorium Naturwissenschaften 22 (1934) 206-206
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010407.cif $ #-------------------------------------------------------------------...
1,010,408
3.84
null
3.84
null
12.03
null
90
null
90
null
90
null
177.4
null
null
null
null
null
null
null
null
null
4
I 4/m m m
-I 4 2
139
Lithium triboron tetraoxide chloride
- B3 Cl2 Li O4 -
- B3 Cl2 Li O4 -
- B3 Cl2 Li O4 -
1
0.03125
Sillen, L G
Ein neuer Typus von gemischtem Halogen - Sauerstoffgitter
Naturwissenschaften
1,938
26
612
613
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Sillen, L G Ein neuer Typus von gemischtem Halogen - Sauerstoffgitter Naturwissenschaften 26 (1938) 612-613
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010408.cif $ #-------------------------------------------------------------------...
1,010,409
9.57
0.01
5.65
0.01
5.54
0.01
90
null
90
null
90
null
299.6
null
null
null
null
null
null
null
null
null
2
I b a m
-I 2 2c
72
Silicon sulfide
- S2 Si -
- S2 Si -
- S8 Si4 -
4
0.25
Buessem, W; Fischer, H; Gruner, E
Die Struktur des Siliciumdisulfids
Naturwissenschaften
1,935
23
740
740
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Buessem, W; Fischer, H; Gruner, E Die Struktur des Siliciumdisulfids Naturwissenschaften 23 (1935) 740-740
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010409.cif $ #-------------------------------------------------------------------...
1,010,410
4.2
null
4.2
null
4.2
null
90
null
90
null
90
null
74.1
null
null
null
null
null
null
null
null
null
2
P m -3 m
-P 4 2 3
221
Niobium(II) oxide
- Nb O -
- Nb O -
- Nb3 O3 -
3
0.0625
Brauer, G
Ueber die Oxyde des Niobs
Naturwissenschaften
1,940
28
30
30
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Brauer, G Ueber die Oxyde des Niobs Naturwissenschaften 28 (1940) 30-30
202,026
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-16 01:16:12 +0300 (Mon, 16 Oct 2017) $ #$Revision: 202026 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010410.cif $ #-------------------------------------------------------------------...
1,010,411
9.2
null
9.2
null
7.4
null
90
null
90
null
90
null
626.3
null
null
null
null
null
null
null
null
null
2
P 4/n :1
P 4ab -1ab
85
Phosphorus(V) chloride
- Cl5 P -
- Cl1.75 P -
- Cl7 P4 -
4
0.5
Powell, H M; Clark, D; Wells, A F
Crystal Structure of Phosphorus Pentachloride
Nature (London)
1,940
145
149
149
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Powell, H M; Clark, D; Wells, A F Crystal Structure of Phosphorus Pentachloride Nature (London) 145 (1940) 149-149
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010411.cif $ #-------------------------------------------------------------------...
1,010,412
6.391
null
6.391
null
6.391
null
90
null
90
null
90
null
261
null
null
null
null
null
null
null
null
null
2
F m -3 m
-F 4 2 3
225
Magnesium silicide
- Mg2 Si -
- Mg2 Si -
- Mg8 Si4 -
4
0.020833
Owen, E A; Preston, G D
The atomic structure of two intermetallic compounds
Nature (London)
1,924
113
914
914
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Owen, E A; Preston, G D The atomic structure of two intermetallic compounds Nature (London) 113 (1924) 914-914
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010412.cif $ #-------------------------------------------------------------------...
1,010,413
8.5
0.09
4.73
0.05
5.72
0.06
90
null
90
null
90
null
230
null
null
null
null
null
null
null
null
null
2
C c m m
-C 2c 2c
63
Chromium(VI) oxide
- Cr O3 -
- Cr O1.5 -
- Cr4 O6 -
4
0.25
Wooster, W A; Wooster, N
Crystal Structure of Chromium Trioxide
Nature (London)
1,931
127
782
782
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Wooster, W A; Wooster, N Crystal Structure of Chromium Trioxide Nature (London) 127 (1931) 782-782
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010413.cif $ #-------------------------------------------------------------------...
1,010,414
4.93
null
4.93
null
6.25
null
90
null
90
null
120
null
131.6
null
null
null
null
null
null
null
null
null
2
P 3 2 1
P 3 2"
150
Aluminium fluoride
- Al F3 -
- Al F3 -
- Al3 F9 -
3
0.5
Ketelaar, J A A
Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium
Nature (London)
1,931
128
303
303
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ketelaar, J A A Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium Nature (London) 128 (1931) 303-303
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010414.cif $ #-------------------------------------------------------------------...
7,015,309
23.399
0.003
17.754
0.003
12.3468
0.0018
90
null
90
null
90
null
5,129.2
1.3
291
2
291
2
null
null
null
null
6
P n a 21
P 2c -2n
33
- C49 H33 Cl3 Cu2 N10 O12 -
- C49 H33 Cl3 Cu2 N10 O12 -
- C196 H132 Cl12 Cu8 N40 O48 -
4
1
Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng
Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings.
Dalton transactions (Cambridge, England : 2003)
2,011
40
19
5200
5209
10.1039/c0dt01472a
0.71073
MoKα
0.1665
0.0734
null
null
0.0981
0.12
null
null
null
null
null
0.869
null
null
has coordinates
Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings. Dalton transactions (Cambridge, England : 2003) 40(19) (2011) 5200-5209
179,857
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:40:45 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179857 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015309.cif $ #-------------------------------------------------------------------...
1,010,415
5.2
null
5.2
null
6.66
null
90
null
90
null
120
null
156
null
null
null
null
null
null
null
null
null
2
P 3 2 1
P 3 2"
150
Iron(III) fluoride
- F3 Fe -
- F3 Fe -
- F9 Fe3 -
3
0.5
Ketelaar, J A A
Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium
Nature (London)
1,931
128
303
303
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ketelaar, J A A Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium Nature (London) 128 (1931) 303-303
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010415.cif $ #-------------------------------------------------------------------...
1,010,416
5.06
null
5.06
null
6.63
null
90
null
90
null
120
null
147
null
null
null
null
null
null
null
null
null
2
P 3 2 1
P 3 2"
150
Cobalt(III) fluoride
- Co F3 -
- Co F3 -
- Co3 F9 -
3
0.5
Ketelaar, J A A
Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium
Nature (London)
1,931
128
303
303
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ketelaar, J A A Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium Nature (London) 128 (1931) 303-303
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010416.cif $ #-------------------------------------------------------------------...
1,010,417
4.88
null
4.88
null
6.81
null
90
null
90
null
120
null
140.4
null
null
null
null
null
null
null
null
null
2
P 3 2 1
P 3 2"
150
Rhodium(III) fluoride
- F3 Rh -
- F3 Rh -
- F9 Rh3 -
3
0.5
Ketelaar, J A A
Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium
Nature (London)
1,931
128
303
303
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ketelaar, J A A Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium Nature (London) 128 (1931) 303-303
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010417.cif $ #-------------------------------------------------------------------...
1,010,418
5.05
null
5.05
null
7.08
null
90
null
90
null
120
null
156.4
null
null
null
null
null
null
null
null
null
2
P 3 2 1
P 3 2"
150
Palladium(III) fluoride
- F3 Pd -
- F3 Pd -
- F9 Pd3 -
3
0.5
Ketelaar, J A A
Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium
Nature (London)
1,931
128
303
303
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ketelaar, J A A Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium Nature (London) 128 (1931) 303-303
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010418.cif $ #-------------------------------------------------------------------...
1,010,419
3.85
null
3.85
null
3.85
null
90
null
90
null
90
null
57.1
null
null
null
null
null
null
null
null
null
3
P m -3 m
-P 4 2 3
221
Sodium tungstate(V)
- Na O3 W -
- Na O3 W -
- Na O3 W -
1
0.020833
Haegg, G
The Spinels and the Cubic Sodium - Tungsten Bronzes as New Examples of Structures with Vacant Lattice Points
Nature (London)
1,935
135
874
874
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Haegg, G The Spinels and the Cubic Sodium - Tungsten Bronzes as New Examples of Structures with Vacant Lattice Points Nature (London) 135 (1935) 874-874
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010419.cif $ #-------------------------------------------------------------------...
1,010,420
3.813
null
3.813
null
3.813
null
90
null
90
null
90
null
55.4
null
null
null
null
null
null
null
null
null
3
P m -3 m
-P 4 2 3
221
Sodium tungsten oxide (.35/1/3)
- Na0.35 O3 W -
- Na0.35 O3 W -
- Na0.35 O3 W -
1
0.020833
Haegg, G
The Spinels and the Cubic Sodium - Tungsten Bronzes as New Examples of Structures with Vacant Lattice Points
Nature (London)
1,935
135
874
874
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Haegg, G The Spinels and the Cubic Sodium - Tungsten Bronzes as New Examples of Structures with Vacant Lattice Points Nature (London) 135 (1935) 874-874
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010420.cif $ #-------------------------------------------------------------------...
1,010,421
3.92
null
3.92
null
8.11
null
90
null
90
null
90
null
124.6
null
null
null
null
null
null
null
null
null
3
P 4/n m m :1
P 4ab 2ab -1ab
129
Bismuth oxide bromide
- Bi Br O -
- Bi Br O -
- Bi2 Br2 O2 -
2
0.125
Bannister, F A
Crystal Structure of Bismuth Oxyhalides
Nature (London)
1,934
134
856
857
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bannister, F A Crystal Structure of Bismuth Oxyhalides Nature (London) 134 (1934) 856-857
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010421.cif $ #-------------------------------------------------------------------...
1,010,422
4.09
null
4.09
null
7.21
null
90
null
90
null
90
null
120.6
null
null
null
null
null
null
null
null
null
3
P 4/n m m :1
P 4ab 2ab -1ab
129
Bismuth oxide iodide
- Bi I O -
- Bi I O -
- Bi2 I2 O2 -
2
0.125
Bannister, F A
Crystal Structure of Bismuth Oxyhalides
Nature (London)
1,934
134
856
857
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bannister, F A Crystal Structure of Bismuth Oxyhalides Nature (London) 134 (1934) 856-857
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010422.cif $ #-------------------------------------------------------------------...
1,010,423
6.82
0.02
6.82
0.02
6.82
0.02
90
null
90
null
90
null
317.2
null
null
null
null
null
null
null
null
null
2
F m -3 m
-F 4 2 3
225
Barium telluride
- Ba Te -
- Ba Te -
- Ba4 Te4 -
4
0.020833
Spangenberg, K
Lichtbrechungsbestimmungen an den Erdalkaliverbindungen mit O, S, Se und Te
Naturwissenschaften
1,927
15
266
266
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Spangenberg, K Lichtbrechungsbestimmungen an den Erdalkaliverbindungen mit O, S, Se und Te Naturwissenschaften 15 (1927) 266-266
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010423.cif $ #-------------------------------------------------------------------...
1,010,424
4.089
0.003
4.089
0.003
4.089
0.003
90
null
90
null
90
null
68.4
null
null
null
null
null
null
null
null
null
3
P m -3 m
-P 4 2 3
221
Strontium zirconate
- O3 Sr Zr -
- O3 Sr Zr -
- O3 Sr Zr -
1
0.020833
Hoffmann, A
Groessenunterschied der Ionen von Zirkonium und Hafnium
Naturwissenschaften
1,933
21
676
676
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hoffmann, A Groessenunterschied der Ionen von Zirkonium und Hafnium Naturwissenschaften 21 (1933) 676-676
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010424.cif $ #-------------------------------------------------------------------...
7,015,308
10.7121
0.0013
18.024
0.002
29.397
0.003
90
null
101.857
0.004
90
null
5,554.7
1.1
291
2
291
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C49 H51 Cl3 Cu2 N10 O13 -
- C49 H51 Cl3 Cu2 N10 O13 -
- C196 H204 Cl12 Cu8 N40 O52 -
4
1
Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng
Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings.
Dalton transactions (Cambridge, England : 2003)
2,011
40
19
5200
5209
10.1039/c0dt01472a
0.71073
MoKα
0.1164
0.0665
null
null
0.2001
0.2224
null
null
null
null
null
1.042
null
null
has coordinates
Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings. Dalton transactions (Cambridge, England : 2003) 40(19) (2011) 5200-5209
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/7/01/53/7015308.cif $ #-------------------------------------------------------------------...
1,010,425
4.069
0.003
4.069
0.003
4.069
0.003
90
null
90
null
90
null
67.4
null
null
null
null
null
null
null
null
null
3
P m -3 m
-P 4 2 3
221
Strontium hafnate
- Hf O3 Sr -
- Hf O3 Sr -
- Hf O3 Sr -
1
0.020833
Hoffmann, A
Groessenunterschied der Ionen von Zirkonium und Hafnium
Naturwissenschaften
1,933
21
676
676
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hoffmann, A Groessenunterschied der Ionen von Zirkonium und Hafnium Naturwissenschaften 21 (1933) 676-676
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010425.cif $ #-------------------------------------------------------------------...
1,010,426
5.737
0.003
5.968
0.003
14.241
0.007
90
null
90
null
90
null
487.6
null
null
null
null
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
Caesium rhenate(VII)
- Cs O4 Re -
- Cs O2 Re -
- Cs4 O8 Re4 -
4
0.5
Beintema, J
Die Kristallstruktur der Alkaliperrhenate und -periodate
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,937
97
300
322
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Beintema, J Die Kristallstruktur der Alkaliperrhenate und -periodate Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 97 (1937) 300-322
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010426.cif $ #-------------------------------------------------------------------...
1,010,427
5.623
0.003
5.791
0.003
13.295
0.007
90
null
90
null
90
null
432.9
null
null
null
null
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
Thallium rhenate(VII)
- O4 Re Tl -
- O2 Re Tl -
- O8 Re4 Tl4 -
4
0.5
Beintema, J
Die Kristallstruktur der Alkaliperrhenate und -periodate
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,937
97
300
322
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Beintema, J Die Kristallstruktur der Alkaliperrhenate und -periodate Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 97 (1937) 300-322
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010427.cif $ #-------------------------------------------------------------------...
1,010,428
5.838
0.003
6.014
0.003
14.364
0.007
90
null
90
null
90
null
504.3
null
null
null
null
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
Caesium iodate(VII)
- Cs I O4 -
- Cs I O2 -
- Cs4 I4 O8 -
4
0.5
Beintema, J
Die Kristallstruktur der Alkaliperrhenate und -periodate
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,937
97
300
322
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Beintema, J Die Kristallstruktur der Alkaliperrhenate und -periodate Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 97 (1937) 300-322
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010428.cif $ #-------------------------------------------------------------------...
1,010,429
7.65
null
7.65
null
7.65
null
90
null
90
null
90
null
447.7
null
null
null
null
null
null
null
null
null
2
F m -3 m
-F 4 2 3
225
Rubidium sulfide
- Rb2 S -
- Rb2 S -
- Rb8 S4 -
4
0.020833
May, K
Die Kristallstruktur der Rubidium-Sulfids, Rb~2~ S
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,936
94
412
413
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
May, K Die Kristallstruktur der Rubidium-Sulfids, Rb~2~ S Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 412-413
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010429.cif $ #-------------------------------------------------------------------...
1,010,430
5.03
null
5.03
null
11.22
null
90
null
90
null
120
null
245.8
null
null
null
null
null
null
null
null
null
3
P 31 2 1 S
152
Aluminium arsenate
- Al As O4 -
- Al As O4 -
- Al3 As3 O12 -
3
null
Machatschki, F.
Die Kristallstruktur von Tiefquarz Si O~2~ und Aluminiumorthoarsenat Al As O~4~
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,936
94
222
230
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Machatschki, F. Die Kristallstruktur von Tiefquarz Si O~2~ und Aluminiumorthoarsenat Al As O~4~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 222-230
277,832
2022-09-14
15:07:16
#------------------------------------------------------------------------------ #$Date: 2022-09-14 18:07:06 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277832 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010430.cif $ #-------------------------------------------------------------------...
7,015,307
8.921
0.004
15.049
0.007
18.133
0.007
90
null
110.859
0.018
90
null
2,274.8
1.7
296
2
296
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
Complex 6
- C14 H21 Fe2 I O5 S3 -
- C14 H21 Fe2 I O5 S3 -
- C56 H84 Fe8 I4 O20 S12 -
4
1
Xiao, Zhiyin; Wei, Zhenhong; Long, Li; Wang, Yongli; Evans, David J.; Liu, Xiaoming
Diiron carbonyl complexes possessing a {Fe(II)Fe(II)} core: synthesis, characterisation, and electrochemical investigation.
Dalton transactions (Cambridge, England : 2003)
2,011
40
16
4291
4299
10.1039/c0dt01465f
0.71073
MoKα
0.1829
0.1081
null
null
0.2712
0.3362
null
null
null
null
null
0.957
null
null
has coordinates,has disorder
Xiao, Zhiyin; Wei, Zhenhong; Long, Li; Wang, Yongli; Evans, David J.; Liu, Xiaoming Diiron carbonyl complexes possessing a {Fe(II)Fe(II)} core: synthesis, characterisation, and electrochemical investigation. Dalton transactions (Cambridge, England : 2003) 40(16) (2011) 4291-4299
179,857
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:40:45 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179857 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015307.cif $ #-------------------------------------------------------------------...
1,010,431
13.4
0.03
13.4
0.03
13.4
0.03
90
null
90
null
90
null
2,406.1
null
null
null
null
null
null
null
null
null
4
I a -3 d
-I 4bd 2c 3
230
Potassium aluminium catena-silicate
- Al K O6 Si2 -
- Al0.99 K O6 Si2.01 -
- Al15.84 K16 O96 Si32.16 -
16
0.166667
Wyart, M J
Etude cristallographique d'une leucite artificielle. Structure atomique et symetrie du mineral
Bulletin de la Societe Francaise de Mineralogie (-71,1948)
1,940
63
5
17
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Wyart, M J Etude cristallographique d'une leucite artificielle. Structure atomique et symetrie du mineral Bulletin de la Societe Francaise de Mineralogie (-71,1948) 63 (1940) 5-17
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010431.cif $ #-------------------------------------------------------------------...
1,010,432
3.408
null
3.408
null
5.54
null
90
null
90
null
120
null
55.7
null
null
null
null
null
null
null
null
null
3
P 63/m m c
-P 6c 2c
194
Iron nickel sulfide
- Fe Ni S2 -
- Fe Ni S2 -
- Fe Ni S2 -
1
0.041667
Alsen, N
Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen
Geologiska Foereningens i Stockholm Foerhandlingar
1,925
47
19
73
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Alsen, N Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen Geologiska Foereningens i Stockholm Foerhandlingar 47 (1925) 19-73
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010432.cif $ #-------------------------------------------------------------------...
1,010,433
3.36
null
3.36
null
5.29
null
90
null
90
null
120
null
51.7
null
null
null
null
null
null
null
null
null
3
P 63/m m c
-P 6c 2c
194
Iron cobalt sulfide
- Co Fe S2 -
- Co Fe S2 -
- Co Fe S2 -
1
0.041667
Alsen, N
Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen
Geologiska Foereningens i Stockholm Foerhandlingar
1,925
47
19
73
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Alsen, N Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen Geologiska Foereningens i Stockholm Foerhandlingar 47 (1925) 19-73
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010433.cif $ #-------------------------------------------------------------------...
1,010,434
3.54
null
3.54
null
5.91
null
90
null
90
null
120
null
64.1
null
null
null
null
null
null
null
null
null
3
P 63/m m c
-P 6c 2c
194
Iron sulfide selenide
- Fe2 S Se -
- Fe2 S Se -
- Fe2 S Se -
1
0.041667
Alsen, N
Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen
Geologiska Foereningens i Stockholm Foerhandlingar
1,925
47
19
73
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Alsen, N Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen Geologiska Foereningens i Stockholm Foerhandlingar 47 (1925) 19-73
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010434.cif $ #-------------------------------------------------------------------...
1,010,435
3.42
null
3.42
null
5.3
null
90
null
90
null
120
null
53.7
null
null
null
null
null
null
null
null
null
2
P 63/m m c
-P 6c 2c
194
Nickel sulfide
- Ni S -
- Ni S -
- Ni2 S2 -
2
0.083333
Alsen, N
Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen
Geologiska Foereningens i Stockholm Foerhandlingar
1,925
47
19
73
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Alsen, N Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen Geologiska Foereningens i Stockholm Foerhandlingar 47 (1925) 19-73
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010435.cif $ #-------------------------------------------------------------------...
7,015,306
15.888
0.002
17.307
0.003
28.582
0.004
90
null
90
null
90
null
7,859
2
295
2
295
2
null
null
null
null
6
P b c a
-P 2ac 2ab
61
Complex 4
- C11 H15 Fe2 I O5 S3 -
- C11 H15 Fe2 I O5 S3 -
- C176 H240 Fe32 I16 O80 S48 -
16
2
Xiao, Zhiyin; Wei, Zhenhong; Long, Li; Wang, Yongli; Evans, David J.; Liu, Xiaoming
Diiron carbonyl complexes possessing a {Fe(II)Fe(II)} core: synthesis, characterisation, and electrochemical investigation.
Dalton transactions (Cambridge, England : 2003)
2,011
40
16
4291
4299
10.1039/c0dt01465f
0.71073
MoKα
0.0751
0.0348
null
null
0.0803
0.0935
null
null
null
null
null
1.002
null
null
has coordinates
Xiao, Zhiyin; Wei, Zhenhong; Long, Li; Wang, Yongli; Evans, David J.; Liu, Xiaoming Diiron carbonyl complexes possessing a {Fe(II)Fe(II)} core: synthesis, characterisation, and electrochemical investigation. Dalton transactions (Cambridge, England : 2003) 40(16) (2011) 4291-4299
179,857
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:40:45 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179857 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015306.cif $ #-------------------------------------------------------------------...
1,010,436
4.4345
null
4.4345
null
4.4345
null
90
null
90
null
90
null
87.2
null
null
null
null
null
null
null
null
null
2
F m -3 m
-F 4 2 3
225
Manganese oxide
- Mn O -
- Mn O -
- Mn4 O4 -
4
0.020833
Ruhemann, B
Temperaturabhaengigkeit der Gitterkonstanten von Manganoxyd
Physikalische Zeitschrift
1,935
36
590
607
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ruhemann, B Temperaturabhaengigkeit der Gitterkonstanten von Manganoxyd Physikalische Zeitschrift 36 (1935) 590-607
202,026
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-16 01:16:12 +0300 (Mon, 16 Oct 2017) $ #$Revision: 202026 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010436.cif $ #-------------------------------------------------------------------...
1,010,437
6.19
null
11.6
null
4.28
null
90
null
90
null
90
null
307.3
null
null
null
null
null
null
null
null
null
3
P n c a
-P 2a 2n
60
Calcium diborate
- B2 Ca O4 -
- B2 Ca O4 -
- B8 Ca4 O16 -
4
0.5
Zachariasen, W H
The Crystal Lattice of Calcium Metaborate, Ca B~2~ O~4~
Proceedings of the National Academy of Sciences, U.S.A.
1,931
17
617
619
10.1073/pnas.17.11.617
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zachariasen, W H The Crystal Lattice of Calcium Metaborate, Ca B~2~ O~4~ Proceedings of the National Academy of Sciences, U.S.A. 17 (1931) 617-619
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010437.cif $ #-------------------------------------------------------------------...
1,010,438
2.696
null
2.696
null
4.394
null
90
null
90
null
120
null
27.7
null
null
null
null
null
null
null
null
null
2
null
Beryllium oxide
- Be O -
2
null
McKeehan, L W
The Crystal Structure of Beryllium and of Beryllium Oxide
Proceedings of the National Academy of Sciences, U.S.A.
1,922
8
270
274
10.1073/pnas.8.9.270
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
McKeehan, L W The Crystal Structure of Beryllium and of Beryllium Oxide Proceedings of the National Academy of Sciences, U.S.A. 8 (1922) 270-274
201,954
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 02:32:00 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201954 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010438.cif $ #-------------------------------------------------------------------...
1,010,439
4.74
null
4.74
null
6.65
null
90
null
90
null
120
null
129.4
null
null
null
null
null
null
null
null
null
I
2
null
Ice
Ice
- H2 O -
4
null
John, A S
The Crystal Structure of Ice
Proceedings of the National Academy of Sciences, U.S.A.
1,918
4
193
197
10.1073/pnas.4.7.193
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
John, A S The Crystal Structure of Ice Proceedings of the National Academy of Sciences, U.S.A. 4 (1918) 193-197
201,954
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 02:32:00 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201954 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010439.cif $ #-------------------------------------------------------------------...
1,010,440
5.665
null
8.27
null
7.127
null
90
null
92
null
90
null
333.7
null
null
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
Silver manganate(VII)
- Ag Mn O4 -
- Ag Mn O4 -
- Ag4 Mn4 O16 -
4
1
Sasvári, K.
Die Struktur des Silberpermanganats AgMnO~4~
Zeitschrift für Kristallographie - Crystalline Materials
1,938
99
1-6
9
15
10.1524/zkri.1938.99.1.9
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Sasvári, K. Die Struktur des Silberpermanganats AgMnO~4~ Zeitschrift für Kristallographie - Crystalline Materials 99(1-6) (1938) 9-15
175,087
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-01-26 13:49:15 +0200 (Tue, 26 Jan 2016) $ #$Revision: 175087 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010440.cif $ #-------------------------------------------------------------------...
1,010,441
6.13
null
8.5
null
9.94
null
90
null
90
null
90
null
517.9
null
null
null
null
null
null
null
null
null
5
P m c n
-P 2n 2a
62
Ammonium bromochloroiodate(I)
- Br Cl H4 I N -
- Br Cl H4 I N -
- Br4 Cl4 H16 I4 N4 -
4
0.5
Mooney, R. C. L.
The crystal structure of Ammonium Chlorobromoiodide and the Configuration of the Chlorobromoiodide Group
Zeitschrift für Kristallographie - Crystalline Materials
1,938
98
1-6
324
333
10.1524/zkri.1938.98.1.324
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mooney, R. C. L. The crystal structure of Ammonium Chlorobromoiodide and the Configuration of the Chlorobromoiodide Group Zeitschrift für Kristallographie - Crystalline Materials 98(1-6) (1938) 324-333
301,772
2025-08-18
12:31:56
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010441.cif $ #-------------------------------------------------------------------...
1,010,442
13.09
null
14.18
null
4.2
null
90
null
95.116
null
90
null
776.5
null
null
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
Potassium tetrachloroiodate(III)
- Cl4 I K -
- Cl4 I K -
- Cl16 I4 K4 -
4
1
Mooney, R. C. L.
The Configuration of the Pentahalogen Anion Group from the X-ray Structure Determination of Potassium Tetra-Chloroiodide Crystals
Zeitschrift für Kristallographie - Crystalline Materials
1,938
98
1-6
377
393
10.1524/zkri.1938.98.1.377
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mooney, R. C. L. The Configuration of the Pentahalogen Anion Group from the X-ray Structure Determination of Potassium Tetra-Chloroiodide Crystals Zeitschrift für Kristallographie - Crystalline Materials 98(1-6) (1938) 377-393
175,086
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-01-26 13:22:14 +0200 (Tue, 26 Jan 2016) $ #$Revision: 175086 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010442.cif $ #-------------------------------------------------------------------...
7,015,305
20.5618
0.0015
22.3
0.0016
29.998
0.002
90
null
92.282
0.001
90
null
13,744
1.7
100
2
100
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C147 H127 N6 O18 P12 U3 -
- C147 H127 N6 O18 P12 U3 -
- C588 H508 N24 O72 P48 U12 -
4
1
Redmond, Michael P.; Cornet, Stephanie M.; Woodall, Sean D.; Whittaker, Daniel; Collison, David; Helliwell, Madeleine; Natrajan, Louise S.
Probing the local coordination environment and nuclearity of uranyl(VI) complexes in non-aqueous media by emission spectroscopy.
Dalton transactions (Cambridge, England : 2003)
2,011
40
15
3914
3926
10.1039/c0dt01464h
0.71073
MoKα
0.1019
0.0506
null
null
0.0716
0.0805
null
null
null
null
null
1.109
null
null
has coordinates
Redmond, Michael P.; Cornet, Stephanie M.; Woodall, Sean D.; Whittaker, Daniel; Collison, David; Helliwell, Madeleine; Natrajan, Louise S. Probing the local coordination environment and nuclearity of uranyl(VI) complexes in non-aqueous media by emission spectroscopy. Dalton transactions (Cambridge, England : 2003) 40(1...
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/7/01/53/7015305.cif $ #-------------------------------------------------------------------...
1,010,443
6.226
null
11.135
null
8.363
null
90
null
90
null
90
null
579.8
null
null
null
null
null
null
null
null
null
3
P m c n
-P 2n 2a
62
Caesium chromate
- Cr Cs2 O4 -
- Cr Cs2 O4 -
- Cr4 Cs8 O16 -
4
0.5
Miller, J. J.
The Crystal Structure of Caesium Chromate Cs~2~CrO~4~
Zeitschrift für Kristallographie - Crystalline Materials
1,938
99
1-6
32
37
10.1524/zkri.1938.99.1.32
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Miller, J. J. The Crystal Structure of Caesium Chromate Cs~2~CrO~4~ Zeitschrift für Kristallographie - Crystalline Materials 99(1-6) (1938) 32-37
301,772
2025-08-18
12:31:56
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010443.cif $ #-------------------------------------------------------------------...
1,010,444
5.957
0.002
5.957
0.002
5.957
0.002
90
null
90
null
90
null
211.4
null
null
null
null
null
null
null
null
null
2
F m -3 m
-F 4 2 3
225
Europium(II) sulfide
- Eu S -
- Eu S -
- Eu4 S4 -
4
0.020833
Nowacki, W.
Die Kristallstruktur des EuS
Zeitschrift für Kristallographie - Crystalline Materials
1,938
99
1-6
339
341
10.1524/zkri.1938.99.1.339
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nowacki, W. Die Kristallstruktur des EuS Zeitschrift für Kristallographie - Crystalline Materials 99(1-6) (1938) 339-341
175,087
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-01-26 13:49:15 +0200 (Tue, 26 Jan 2016) $ #$Revision: 175087 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010444.cif $ #-------------------------------------------------------------------...
1,010,445
7.656
null
7.656
null
7.539
null
90
null
90
null
120
null
382.7
null
null
null
null
null
null
null
null
null
2
P 63/m m c
-P 6c 2c
194
Aluminium cobalt (5:2)
- Al5 Co2 -
- Al5 Co2 -
- Al20 Co8 -
4
0.166667
Bradley, A. J.; Cheng, C. S.
The Crystal Structure of Co~2~Al~5~
Zeitschrift für Kristallographie - Crystalline Materials
1,938
99
1-6
480
487
10.1524/zkri.1938.99.1.480
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bradley, A. J.; Cheng, C. S. The Crystal Structure of Co~2~Al~5~ Zeitschrift für Kristallographie - Crystalline Materials 99(1-6) (1938) 480-487
175,087
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-01-26 13:49:15 +0200 (Tue, 26 Jan 2016) $ #$Revision: 175087 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010445.cif $ #-------------------------------------------------------------------...
1,010,446
6.71
null
6.71
null
6.71
null
90
null
90
null
90
null
302.1
null
null
null
null
null
null
null
null
null
3
P 21 3
P 2ac 2ab 3
198
Sodium bromate
- Br Na O3 -
- Br Na O3 -
- Br4 Na4 O12 -
4
0.333333
Hamilton, J E
The Crystal Structure of Sodium Bromate
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,938
100
104
111
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hamilton, J E The Crystal Structure of Sodium Bromate Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1938) 104-111
301,772
2025-08-18
12:31:56
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010446.cif $ #-------------------------------------------------------------------...
1,010,447
3.81
null
3.34
null
11
null
90
null
90
null
90
null
140
null
null
null
null
null
null
null
null
null
2
P n m n
-P 2n 2n
58
Palladium chloride
- Cl2 Pd -
- Cl2 Pd -
- Cl4 Pd2 -
2
0.25
Wells, A F
The Crystal Structure of Palladous Chloride Pd Cl~2~
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,938
100
189
194
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Wells, A F The Crystal Structure of Palladous Chloride Pd Cl~2~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1938) 189-194
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010447.cif $ #-------------------------------------------------------------------...
1,010,448
3.74
null
4.71
null
5.61
null
90
null
90
null
90
null
98.8
null
null
null
null
null
null
null
null
null
3
I m m m
-I 2 2
71
Sodium cyanide
- C N Na -
- C N Na -
- C2 N2 Na2 -
2
0.125
Verweel, H J; Bijvoet, J M
Die Kristallstruktur des Na C N
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,938
100
210
207
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Verweel, H J; Bijvoet, J M Die Kristallstruktur des Na C N Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1938) 210-207
208,902
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-07-07 04:59:37 +0300 (Sat, 07 Jul 2018) $ #$Revision: 208902 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010448.cif $ #-------------------------------------------------------------------...
1,010,449
7.43
0.01
7.43
0.01
10.61
0.02
90
null
90
null
90
null
585.7
null
null
null
null
null
null
null
null
null
3
C 4 2 21
90
Potassium hexabromostannate
- Br6 K2 Sn -
- Br6 K2 Sn -
- Br24 K8 Sn4 -
4
null
Markstein, G; Nowotny, H
Die Kristallstrukturen von Bromostannaten A Sn Br~6~ (A= Cs, Rb, N H~4~, K )
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,938
100
265
271
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Markstein, G; Nowotny, H Die Kristallstrukturen von Bromostannaten A Sn Br~6~ (A= Cs, Rb, N H~4~, K ) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1938) 265-271
277,832
2022-09-14
15:07:16
#------------------------------------------------------------------------------ #$Date: 2022-09-14 18:07:06 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277832 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010449.cif $ #-------------------------------------------------------------------...
7,015,304
21.98
0.005
27.412
0.006
17.356
0.004
90
null
101.42
0.005
90
null
10,250
4
100
2
100
2
null
null
null
null
7
C 1 2/c 1
-C 2yc
15
Compound 6
- C99 H86 Cl6 N4 O12 P8 U2 -
- C99 H86 Cl6 N4 O12 P8 U2 -
- C396 H344 Cl24 N16 O48 P32 U8 -
4
0.5
Redmond, Michael P.; Cornet, Stephanie M.; Woodall, Sean D.; Whittaker, Daniel; Collison, David; Helliwell, Madeleine; Natrajan, Louise S.
Probing the local coordination environment and nuclearity of uranyl(VI) complexes in non-aqueous media by emission spectroscopy.
Dalton transactions (Cambridge, England : 2003)
2,011
40
15
3914
3926
10.1039/c0dt01464h
0.71073
MoKα
0.1682
0.0764
null
null
0.1241
0.1511
null
null
null
null
null
0.885
null
null
has coordinates,has disorder
Redmond, Michael P.; Cornet, Stephanie M.; Woodall, Sean D.; Whittaker, Daniel; Collison, David; Helliwell, Madeleine; Natrajan, Louise S. Probing the local coordination environment and nuclearity of uranyl(VI) complexes in non-aqueous media by emission spectroscopy. Dalton transactions (Cambridge, England : 2003) 40(1...
179,857
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:40:45 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179857 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015304.cif $ #-------------------------------------------------------------------...
1,010,450
8.02
null
8.02
null
8.02
null
90
null
90
null
90
null
515.8
null
null
null
null
null
null
null
null
null
2
F d -3 m :2
-F 4vw 2vw 3
227
Aluminium calcium (2:1)
- Al2 Ca -
- Al2 Ca -
- Al16 Ca8 -
8
0.041667
Nowotny, H; Mohrheim, A
Die Kristallstruktur von Al~2~ Ca
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,939
100
540
542
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nowotny, H; Mohrheim, A Die Kristallstruktur von Al~2~ Ca Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1939) 540-542
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010450.cif $ #-------------------------------------------------------------------...
1,010,451
4.022
null
4.022
null
4.022
null
89.575
null
89.575
null
89.575
null
65.1
null
null
null
null
null
null
null
null
null
2
R 3 2 :R
P 3* 2
155
Scandium fluoride
- F3 Sc -
- F3 Sc -
- F3 Sc -
1
0.166667
Nowacki, W
Die Kristallstruktur des Sc F~3~
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,939
101
273
282
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nowacki, W Die Kristallstruktur des Sc F~3~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 101 (1939) 273-282
301,772
2025-08-18
12:31:56
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010451.cif $ #-------------------------------------------------------------------...
1,010,452
5.096
null
5.096
null
8.304
null
90
null
90
null
120
null
186.8
null
null
null
null
null
null
null
null
null
2
P 63/m m c
-P 6c 2c
194
Nickel titanium (3:1)
- Ni3 Ti -
- Ni3 Ti -
- Ni12 Ti4 -
4
0.166667
Laves, F; Wallbaum, H J
Die Kristallstruktur von Ni~3~ Ti und Si~2~ Ti
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,939
101
78
93
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laves, F; Wallbaum, H J Die Kristallstruktur von Ni~3~ Ti und Si~2~ Ti Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 101 (1939) 78-93
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010452.cif $ #-------------------------------------------------------------------...
1,010,453
8.236
null
4.773
null
8.523
null
90
null
90
null
90
null
335
null
null
null
null
null
null
null
null
null
Synthetic
2
F d d d :1
F 2 2 -1d
70
Titanium silicide (1/2)
Zhiqinite
- Si2 Ti -
- Si2 Ti -
- Si16 Ti8 -
8
0.25
Laves, F; Wallbaum, H J
Die Kristallstruktur von Ni~3~ Ti und Si~2~ Ti
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,939
101
78
93
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laves, F; Wallbaum, H J Die Kristallstruktur von Ni~3~ Ti und Si~2~ Ti Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 101 (1939) 78-93
282,068
2023-03-26
10:11:44
#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010453.cif $ #-------------------------------------------------------------------...
1,010,454
8.02
0.01
8.02
0.01
7
0.02
90
null
90
null
90
null
450.2
null
null
null
null
null
null
null
null
null
2
I 4/m c m
-I 4 2c
140
Thallium thallium(III) selenide
- Se2 Tl2 -
- Se2 Tl2 -
- Se8 Tl8 -
4
0.125
Ketelaar, J A A; t'Hart, W H; Polder, D
The Crystal Structure of Tl Se, Thallous Thallic or Thallosic Selenide
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,939
101
396
405
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ketelaar, J A A; t'Hart, W H; Polder, D The Crystal Structure of Tl Se, Thallous Thallic or Thallosic Selenide Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 101 (1939) 396-405
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010454.cif $ #-------------------------------------------------------------------...
1,010,455
10.082
null
10.082
null
10.082
null
90
null
90
null
90
null
1,024.8
null
null
null
null
null
null
null
null
null
2
P -4 3 m
P -4 2 3
215
Lithium lead (10:3) - $-gamma
- Li10 Pb3 -
- Li10 Pb3 -
- Li40 Pb12 -
4
0.166667
Rollier, M A; Arreghini, E
La fase gamma della lega litio-piombo Li~10~ Pb~3~
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,939
101
470
482
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rollier, M A; Arreghini, E La fase gamma della lega litio-piombo Li~10~ Pb~3~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 101 (1939) 470-482
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010455.cif $ #-------------------------------------------------------------------...
7,015,303
9.849
0.005
13.004
0.005
26.892
0.005
96.38
0.005
92.738
0.005
110.122
0.005
3,200
2
100
2
100
2
null
null
null
null
6
P -1
-P 1
2
Compound 5
- C68 H78 N2 O7.5 P5 U -
- C68 H73 N2 O7.5 P5 U -
- C136 H146 N4 O15 P10 U2 -
2
1
Redmond, Michael P.; Cornet, Stephanie M.; Woodall, Sean D.; Whittaker, Daniel; Collison, David; Helliwell, Madeleine; Natrajan, Louise S.
Probing the local coordination environment and nuclearity of uranyl(VI) complexes in non-aqueous media by emission spectroscopy.
Dalton transactions (Cambridge, England : 2003)
2,011
40
15
3914
3926
10.1039/c0dt01464h
0.71069
MoKα
0.0557
0.0442
null
null
0.0866
0.0903
null
null
null
null
null
1.031
null
null
has coordinates
Redmond, Michael P.; Cornet, Stephanie M.; Woodall, Sean D.; Whittaker, Daniel; Collison, David; Helliwell, Madeleine; Natrajan, Louise S. Probing the local coordination environment and nuclearity of uranyl(VI) complexes in non-aqueous media by emission spectroscopy. Dalton transactions (Cambridge, England : 2003) 40(1...
176,453
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015303.cif $ #-------------------------------------------------------------------...
1,010,456
7.37
null
8.26
null
3.19
null
90
null
110.3
null
90
null
182.1
null
null
null
null
null
null
null
null
null
3
C 1 2/m 1
-C 2y
12
Lithium hydroxide hydrate
- H3 Li O2 -
- H3 Li O2 -
- H12 Li4 O8 -
4
0.5
Pepinsky, R
Crystal Structure of Lithium Hydroxide Monohydrate
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,940
102
119
140
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pepinsky, R Crystal Structure of Lithium Hydroxide Monohydrate Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 102 (1940) 119-140
301,772
2025-08-18
12:31:56
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010456.cif $ #-------------------------------------------------------------------...
1,010,457
12.2
0.07
12.2
0.07
18.17
0.06
90
null
90
null
120
null
2,342.1
null
null
null
null
null
null
null
null
null
2
R 3 :H
R 3
146
Thallium sulfide
- S Tl2 -
27
3
Ketelaar, J A A; Gorter, E W
Die Kristallstruktur des Thallosulfid ( Tl~2~ S )
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,939
101
367
375
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Ketelaar, J A A; Gorter, E W Die Kristallstruktur des Thallosulfid ( Tl~2~ S ) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 101 (1939) 367-375
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010457.cif $ #-------------------------------------------------------------------...
1,010,458
7.43
null
7.43
null
6.97
null
90
null
90
null
90
null
384.8
null
null
null
null
null
null
null
null
null
4
I -4 2 d
I -4 2bw
122
Potassium dihydrogenphosphate
- H2 K O4 P -
- H2 K O4 P -
- H8 K4 O16 P4 -
4
0.25
West, J
A quantitative X-ray Analysis of the Structure of Potassium Dihydrogen Phosphate (K H~2~ P O~4~)
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,930
74
306
335
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
West, J A quantitative X-ray Analysis of the Structure of Potassium Dihydrogen Phosphate (K H~2~ P O~4~) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 74 (1930) 306-335
202,022
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-15 03:23:08 +0300 (Sun, 15 Oct 2017) $ #$Revision: 202022 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010458.cif $ #-------------------------------------------------------------------...
1,010,459
6.34
0.005
6.34
0.005
6.34
0.005
90
null
90
null
90
null
254.8
null
null
null
null
null
null
null
null
null
3
P -4 2 m
P -4 2
111
Silver tetraiodomercurate
- Ag2 Hg I4 -
- Ag2 Hg I4 -
- Ag2 Hg I4 -
1
0.125
Ketelaar, J A A
Strukturbestimmung der komplexen Quecksilber-Verbindungen Ag~2~ Hg I~4~ und Cu~2~ Hg I~4~
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,931
80
190
203
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ketelaar, J A A Strukturbestimmung der komplexen Quecksilber-Verbindungen Ag~2~ Hg I~4~ und Cu~2~ Hg I~4~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 80 (1931) 190-203
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010459.cif $ #-------------------------------------------------------------------...
1,010,460
6.08
0.01
6.08
0.01
6.135
0.01
90
null
90
null
90
null
226.8
null
null
null
null
null
null
null
null
null
3
P -4 2 m
P -4 2
111
Copper(I) tetraiodomercurate
- Cu2 Hg I4 -
- Cu2 Hg I4 -
- Cu2 Hg I4 -
1
0.125
Ketelaar, J A A
Strukturbestimmung der komplexen Quecksilber-Verbindungen Ag~2~ Hg I~4~ und Cu~2~ Hg I~4~
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,931
80
190
203
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ketelaar, J A A Strukturbestimmung der komplexen Quecksilber-Verbindungen Ag~2~ Hg I~4~ und Cu~2~ Hg I~4~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 80 (1931) 190-203
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010460.cif $ #-------------------------------------------------------------------...
7,015,302
12.469
0.005
16.035
0.005
26.736
0.005
89.73
0.005
78.123
0.005
85.965
0.005
5,218
3
100
2
100
2
null
null
null
null
6
P -1
-P 1
2
Compound 4
- C56 H56 N2 O8 P4 U -
- C56 H56 N2 O8 P4 U -
- C224 H224 N8 O32 P16 U4 -
4
2
Redmond, Michael P.; Cornet, Stephanie M.; Woodall, Sean D.; Whittaker, Daniel; Collison, David; Helliwell, Madeleine; Natrajan, Louise S.
Probing the local coordination environment and nuclearity of uranyl(VI) complexes in non-aqueous media by emission spectroscopy.
Dalton transactions (Cambridge, England : 2003)
2,011
40
15
3914
3926
10.1039/c0dt01464h
0.71069
MoKα
0.0393
0.0316
null
null
0.0789
0.0828
null
null
null
null
null
1.033
null
null
has coordinates,has disorder
Redmond, Michael P.; Cornet, Stephanie M.; Woodall, Sean D.; Whittaker, Daniel; Collison, David; Helliwell, Madeleine; Natrajan, Louise S. Probing the local coordination environment and nuclearity of uranyl(VI) complexes in non-aqueous media by emission spectroscopy. Dalton transactions (Cambridge, England : 2003) 40(1...
179,857
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:40:45 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179857 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015302.cif $ #-------------------------------------------------------------------...
1,010,461
3.95
null
3.95
null
3.95
null
90
null
90
null
90
null
61.6
null
null
null
null
null
null
null
null
null
2
F m -3 m
-F 4 2 3
225
Aluminium oxide - $-gamma
- Al2.666 O3.999 -
- Al2.6652 O4 -
- Al2.6652 O4 -
1
0.005208
Verwey, E. J. W.
The Structure of the electrolytical Oxide Layer on Aluminium
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie
1,935
91
317
320
10.1524/zkri.1935.91.1.317
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Verwey, E. J. W. The Structure of the electrolytical Oxide Layer on Aluminium Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie 91 (1935) 317-320
202,026
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-16 01:16:12 +0300 (Mon, 16 Oct 2017) $ #$Revision: 202026 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/04/1010461.cif $ #-------------------------------------------------------------------...