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mineral
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1,010,895
4.085
0.001
4.085
0.001
4.085
0.001
90
null
90
null
90
null
68.2
null
null
null
null
null
null
null
null
null
2
F m -3 m
-F 4 2 3
225
Lithium hydride
- H Li -
- H Li -
- H4 Li4 -
4
0.020833
Zintl, E; Harder, A
Gitterdimensionen des Lithiumhydrids Li H und Lithiumdeuterids Li D
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie
1,935
28
478
480
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zintl, E; Harder, A Gitterdimensionen des Lithiumhydrids Li H und Lithiumdeuterids Li D Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 28 (1935) 478-480
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/1/01/08/1010895.cif $ #-------------------------------------------------------------------...
1,010,896
4.065
0.001
4.065
0.001
4.065
0.001
90
null
90
null
90
null
67.2
null
null
null
null
null
null
null
null
null
2
F m -3 m
-F 4 2 3
225
Lithium deuteride
- D Li -
- D Li -
- D4 Li4 -
4
0.020833
Zintl, E; Harder, A
Gitterdimensionen des Lithiumhydrids Li H und Lithiumdeuterids Li D
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie
1,935
28
478
480
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zintl, E; Harder, A Gitterdimensionen des Lithiumhydrids Li H und Lithiumdeuterids Li D Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 28 (1935) 478-480
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/1/01/08/1010896.cif $ #-------------------------------------------------------------------...
7,015,234
9.6196
0.0009
10.0482
0.0008
10.6353
0.001
82.561
0.007
88.528
0.007
75.021
0.007
984.68
0.16
173
2
173
2
null
null
null
null
6
P -1
-P 1
2
- C16 H27 N2 O2 P S2 -
- C16 H27 N2 O2 P S2 -
- C32 H54 N4 O4 P2 S4 -
2
1
Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Srebro, Monika; Mitoraj, Mariusz; Uthe, André; Klein, Axel; Köckerling, Martin
Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2.
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3142
3153
10.1039/c0dt01382j
0.71073
MoKα
0.0388
0.0335
null
null
0.0812
0.0847
null
null
null
null
null
1.025
null
null
has coordinates
Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Srebro, Monika; Mitoraj, Mariusz; Uthe, André; Klein, Axel; Köckerling, Martin Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2. Dalton transactions (Cambridge, En...
301,847
2025-08-21
11:39:33
#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/52/7015234.cif $ #-------------------------------------------------------------------...
1,010,897
4.1
null
4.1
null
4.1
null
90
null
90
null
90
null
68.9
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Lithium titanium oxide (2.7/1.3/4)
- Li2.666 O3.999 Ti1.333 -
- Li2.68 O4 Ti1.32 -
- Li2.68 O4 Ti1.32 -
1
0.005208
Kordes, E
Ueber die Steinsalzstruktur der Verbindung Li~2~ Ti O~3~ und ihre Mischkristallbildung mit Mg O
Fortschritte der Mineralogie
1,933
18
27
28
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kordes, E Ueber die Steinsalzstruktur der Verbindung Li~2~ Ti O~3~ und ihre Mischkristallbildung mit Mg O Fortschritte der Mineralogie 18 (1933) 27-28
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/1/01/08/1010897.cif $ #-------------------------------------------------------------------...
1,010,898
4.415
null
4.415
null
4.415
null
90
null
90
null
90
null
86.1
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/1/01/08/1010898.cif $ #-------------------------------------------------------------------...
1,010,899
7
null
7
null
7
null
90
null
90
null
90
null
343
null
null
null
null
null
null
null
null
null
2
F m -3 m
-F 4 2 3
225
Strontium chloride
- Cl2 Sr -
- Cl2 Sr -
- Cl8 Sr4 -
4
0.020833
Mark, H; Tolksdorf, S
Ueber das Beugungsvermoegen der Atome fuer Roentgenstrahlen.
Zeitschrift fuer Physik
1,925
33
681
687
10.1007/BF01328353
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mark, H; Tolksdorf, S Ueber das Beugungsvermoegen der Atome fuer Roentgenstrahlen. Zeitschrift fuer Physik 33 (1925) 681-687
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/1/01/08/1010899.cif $ #-------------------------------------------------------------------...
1,010,900
4.662
0.002
4.662
0.002
4.662
0.002
90
null
90
null
90
null
101.3
null
null
null
null
null
null
null
null
null
3
P m -3 m
-P 4 2 3
221
Caesium iodate
- Cs I O3 -
- Cs I O3 -
- Cs I O3 -
1
0.020833
Zachariasen, W H
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~
Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse
1,928
1,928
1
165
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zachariasen, W H Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~ Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse 1928 (1928) 1-165
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/1/01/09/1010900.cif $ #-------------------------------------------------------------------...
1,010,901
4.094
0.002
4.094
0.002
4.094
0.002
90
null
90
null
90
null
68.6
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
Zachariasen, W H
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~
Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse
1,928
1,928
1
165
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zachariasen, W H Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~ Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse 1928 (1928) 1-165
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/1/01/09/1010901.cif $ #-------------------------------------------------------------------...
1,010,902
3.75
0.05
3.75
0.05
3.75
0.05
90
null
90
null
90
null
52.7
null
null
null
null
null
null
null
null
null
3
P m -3 m
-P 4 2 3
221
Cadmium titanate
- Cd O3 Ti -
- Cd O3 Ti -
- Cd O3 Ti -
1
0.020833
Zachariasen, W H
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~
Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse
1,928
1,928
1
165
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zachariasen, W H Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~ Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse 1928 (1928) 1-165
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/1/01/09/1010902.cif $ #-------------------------------------------------------------------...
1,010,903
6.02
null
6.02
null
6.02
null
90
null
90
null
90
null
218.2
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Sodium hydrogensulfide - at 473K
- H Na S -
- H Na S -
- H4 Na4 S4 -
4
0.020833
Teichert, W; Klemm, W
Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,939
243
86
98
10.1002/zaac.19392430108
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Teichert, W; Klemm, W Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle Zeitschrift fuer Anorganische und Allgemeine Chemie 243 (1939) 86-98
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/1/01/09/1010903.cif $ #-------------------------------------------------------------------...
7,015,233
9.9075
0.0007
15.1449
0.0007
12.9257
0.0008
90
null
111.187
0.005
90
null
1,808.4
0.2
173
2
173
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C14 H23 N2 O2 P S2 -
- C14 H23 N2 O2 P S2 -
- C56 H92 N8 O8 P4 S8 -
4
1
Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Srebro, Monika; Mitoraj, Mariusz; Uthe, André; Klein, Axel; Köckerling, Martin
Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2.
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3142
3153
10.1039/c0dt01382j
0.71073
MoKα
0.0434
0.0328
null
null
0.0845
0.0871
null
null
null
null
null
1.028
null
null
has coordinates
Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Srebro, Monika; Mitoraj, Mariusz; Uthe, André; Klein, Axel; Köckerling, Martin Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2. Dalton transactions (Cambridge, En...
301,847
2025-08-21
11:39:33
#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/52/7015233.cif $ #-------------------------------------------------------------------...
1,010,904
6.62
null
6.62
null
6.62
null
90
null
90
null
90
null
290.1
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Potassium hydrogensulfide - at 473K
- H K S -
- H K S -
- H4 K4 S4 -
4
0.020833
Teichert, W; Klemm, W
Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,939
243
86
98
10.1002/zaac.19392430108
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Teichert, W; Klemm, W Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle Zeitschrift fuer Anorganische und Allgemeine Chemie 243 (1939) 86-98
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/1/01/09/1010904.cif $ #-------------------------------------------------------------------...
1,010,905
6.89
null
6.89
null
6.89
null
90
null
90
null
90
null
327.1
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Rubidium hydrogensulfide - at 473K
- H Rb S -
- H Rb S -
- H4 Rb4 S4 -
4
0.020833
Teichert, W; Klemm, W
Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,939
243
86
98
10.1002/zaac.19392430108
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Teichert, W; Klemm, W Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle Zeitschrift fuer Anorganische und Allgemeine Chemie 243 (1939) 86-98
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/1/01/09/1010905.cif $ #-------------------------------------------------------------------...
1,010,906
4.302
null
4.302
null
4.302
null
90
null
90
null
90
null
79.6
null
null
null
null
null
null
null
null
null
3
P m -3 m
-P 4 2 3
221
Caesium hydrogensulfide - at 473K
- Cs H S -
- Cs H S -
- Cs H S -
1
0.020833
Teichert, W; Klemm, W
Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,939
243
86
98
10.1002/zaac.19392430108
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Teichert, W; Klemm, W Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle Zeitschrift fuer Anorganische und Allgemeine Chemie 243 (1939) 86-98
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/1/01/09/1010906.cif $ #-------------------------------------------------------------------...
1,010,907
6.26
null
6.26
null
6.26
null
90
null
90
null
90
null
245.3
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Sodium hydrogenselenide - at 473K
- H Na Se -
- H Na Se -
- H4 Na4 Se4 -
4
0.020833
Teichert, W; Klemm, W
Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,939
243
86
98
10.1002/zaac.19392430108
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Teichert, W; Klemm, W Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle Zeitschrift fuer Anorganische und Allgemeine Chemie 243 (1939) 86-98
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/1/01/09/1010907.cif $ #-------------------------------------------------------------------...
1,010,908
6.87
null
6.87
null
6.87
null
90
null
90
null
90
null
324.2
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Potassium hydrogenselenide - at 473K
- H K Se -
- H K Se -
- H4 K4 Se4 -
4
0.020833
Teichert, W; Klemm, W
Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,939
243
86
98
10.1002/zaac.19392430108
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Teichert, W; Klemm, W Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle Zeitschrift fuer Anorganische und Allgemeine Chemie 243 (1939) 86-98
301,772
2025-08-18
12:31:57
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010908.cif $ #-------------------------------------------------------------------...
1,010,909
6.92
null
6.92
null
6.92
null
90
null
90
null
90
null
331.4
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Rubidium hydrogenselenide - at 473K
- H Rb Se -
- H Rb Se -
- H4 Rb4 Se4 -
4
0.020833
Teichert, W; Klemm, W
Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,939
243
86
98
10.1002/zaac.19392430108
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Teichert, W; Klemm, W Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle Zeitschrift fuer Anorganische und Allgemeine Chemie 243 (1939) 86-98
301,772
2025-08-18
12:31:57
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010909.cif $ #-------------------------------------------------------------------...
1,010,910
4.437
null
4.437
null
4.437
null
90
null
90
null
90
null
87.4
null
null
null
null
null
null
null
null
null
3
P m -3 m
-P 4 2 3
221
Caesium hydrogenselenide - at 473K
- Cs H Se -
- Cs H Se -
- Cs H Se -
1
0.020833
Teichert, W; Klemm, W
Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,939
243
86
98
10.1002/zaac.19392430108
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Teichert, W; Klemm, W Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle Zeitschrift fuer Anorganische und Allgemeine Chemie 243 (1939) 86-98
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/1/01/09/1010910.cif $ #-------------------------------------------------------------------...
1,010,911
12.35
null
12.35
null
12.35
null
90
null
90
null
90
null
1,883.7
null
null
null
null
null
null
null
null
null
5
I a -3 d
-I 4bd 2c 3
230
Dicalcium sodium dimagnesium arsenate
Berzeliite
- As3 Ca2 Mg2 Na O12 -
- As3 Ca2.001 Mg2 Na0.999 O12 -
- As24 Ca16.008 Mg16 Na7.992 O96 -
8
0.083333
Bubeck, W; Machatschki, F
Die Kristallstruktur des Berzeliit (Ca, Na)3 (Mg, Mn)2 (As O4)3
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,935
90
44
50
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bubeck, W; Machatschki, F Die Kristallstruktur des Berzeliit (Ca, Na)3 (Mg, Mn)2 (As O4)3 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 90 (1935) 44-50
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/1/01/09/1010911.cif $ #-------------------------------------------------------------------...
7,015,232
10.3417
0.001
10.4409
0.001
10.6637
0.001
116.961
0.007
92.299
0.008
106.498
0.008
964.63
0.19
173
2
173
2
null
null
null
null
7
P -1
-P 1
2
- C30 H48 N4 Ni O4 P2 S4 -
- C30 H48 N4 Ni O4 P2 S4 -
- C30 H48 N4 Ni O4 P2 S4 -
1
0.5
Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Srebro, Monika; Mitoraj, Mariusz; Uthe, André; Klein, Axel; Köckerling, Martin
Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2.
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3142
3153
10.1039/c0dt01382j
0.71073
MoKα
0.0514
0.0375
null
null
0.0926
0.0966
null
null
null
null
null
1.069
null
null
has coordinates,has disorder
Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Srebro, Monika; Mitoraj, Mariusz; Uthe, André; Klein, Axel; Köckerling, Martin Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2. Dalton transactions (Cambridge, En...
179,856
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:39:45 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179856 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/52/7015232.cif $ #-------------------------------------------------------------------...
1,010,912
5.21
null
5.26
null
5.37
null
90
null
80.53
null
90
null
145.2
null
null
null
null
null
null
null
null
null
2
P 1 21/c 1
-P 2ybc
14
Zirconium oxide
Baddeleyite
- O2 Zr -
- O2 Zr -
- O8 Zr4 -
4
1
Naray-Szabo, S
Zur Struktur des Baddeleyits Zr O2
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,936
94
414
416
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Naray-Szabo, S Zur Struktur des Baddeleyits Zr O2 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 414-416
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/1/01/09/1010912.cif $ #-------------------------------------------------------------------...
1,010,913
9.51
null
5.65
null
6.42
null
90
0
90
0
90
0
345
null
null
null
null
null
null
null
null
null
from Spindelmuehle, Riesengebirge, Bohemia
3
B -1
-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)
2
Iron arsenide sulfide (1/1/1)
Arsenopyrite
- As Fe S -
- As Fe S -
- As8 Fe8 S8 -
8
null
Buerger, M J
The symmetry and crystal structure of the minerals of the arsenopyrite group
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,936
95
83
113
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Buerger, M J The symmetry and crystal structure of the minerals of the arsenopyrite group Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 95 (1936) 83-113
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/1/01/09/1010913.cif $ #-------------------------------------------------------------------...
1,010,914
5.12
0.01
5.12
0.01
5.12
0.01
55.28
null
55.28
null
55.28
null
84.5
null
null
null
null
null
null
null
null
null
Ceylon
2
R -3 c :R
-P 3* 2n
167
Aluminium oxide
Corundum
- Al2 O3 -
- Al2 O3 -
- Al4 O6 -
2
0.166667
Pauling, L; Hendricks, S B
Crystal Structures of Hematite and Corundum
Journal of the American Chemical Society
1,925
47
781
790
10.1021/ja01680a027
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pauling, L; Hendricks, S B Crystal Structures of Hematite and Corundum Journal of the American Chemical Society 47 (1925) 781-790
282,053
2023-03-24
19:00:08
#------------------------------------------------------------------------------ #$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $ #$Revision: 282053 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010914.cif $ #-------------------------------------------------------------------...
1,010,915
5.082
null
14.238
null
5.73
null
90
null
90
null
90
null
414.6
null
null
null
null
null
null
null
null
null
from Norway
3
P n c a
-P 2a 2n
60
Iron niobate
Columbite
- Fe Nb2 O6 -
- Fe Nb2 O6 -
- Fe4 Nb8 O24 -
4
0.5
Sturdivant, J H
The Crystal Structure of Columbite
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,930
75
88
108
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Sturdivant, J H The Crystal Structure of Columbite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 75 (1930) 88-108
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/1/01/09/1010915.cif $ #-------------------------------------------------------------------...
1,010,916
9.52
0.03
9.52
0.03
6.85
0.03
90
null
90
null
120
null
537.6
null
null
null
null
null
null
null
null
null
from Bamle Mines, Krageroe, Norway
4
P 63/m
-P 6c
176
Pentacalcium tris(phosphate) chloride
Chlorapatite
- Ca5 Cl O12 P3 -
- Ca5 Cl O12 P3 -
- Ca10 Cl2 O24 P6 -
2
0.166667
Hendricks, S B; Jefferson, M E; Mosley, V M
The Crystal Structures of Some Natural and Synthetic Apatite-Like Substances
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,932
81
352
369
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hendricks, S B; Jefferson, M E; Mosley, V M The Crystal Structures of Some Natural and Synthetic Apatite-Like Substances Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 81 (1932) 352-369
301,772
2025-08-18
12:31:57
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010916.cif $ #-------------------------------------------------------------------...
1,010,917
8.15
null
5.22
null
6.58
null
90
null
106.3
null
90
null
268.7
null
null
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
Calcium barium carbonate
Barytocalcite
- C2 Ba Ca O6 -
- C2 Ba Ca O6 -
- C4 Ba2 Ca2 O12 -
2
1
Gossner, B; Mussgnug, F
Beitrag zur Kenntnis des Barytocalcits und seiner strukturellen Beziehungen zu anderen Stoffen
Zentralblatt fuer Mineralogie und Geologie, A
1,930
1,930
321
328
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gossner, B; Mussgnug, F Beitrag zur Kenntnis des Barytocalcits und seiner strukturellen Beziehungen zu anderen Stoffen Zentralblatt fuer Mineralogie und Geologie, A 1930 (1930) 321-328
208,902
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-07-07 04:59:37 +0300 (Sat, 07 Jul 2018) $ #$Revision: 208902 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010917.cif $ #-------------------------------------------------------------------...
1,010,918
6.86
null
6.86
null
12.7
null
90
null
90
null
120
null
517.6
null
null
null
null
null
null
null
null
null
4
P 32 2 1 S
154
Calcium sulfate hemihydrate
Bassanite
- Ca H O4.5 S -
- Ca H O4.5 S -
- Ca6 H6 O27 S6 -
6
null
Gallitelli, P
Ricerche sul solfato di calcio semidrato e sull'anidrite solubile
Periodico di Mineralogia
1,933
4
132
171
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gallitelli, P Ricerche sul solfato di calcio semidrato e sull'anidrite solubile Periodico di Mineralogia 4 (1933) 132-171
301,772
2025-08-18
12:31:57
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010918.cif $ #-------------------------------------------------------------------...
7,015,231
10.1225
0.0006
10.4047
0.0007
10.5936
0.0007
114.921
0.005
92.754
0.005
107.18
0.005
947.35
0.12
173
2
173
2
null
null
null
null
6
P -1
-P 1
2
- C15 H25 N2 O2 P S2 -
- C15 H25 N2 O2 P S2 -
- C30 H50 N4 O4 P2 S4 -
2
1
Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Srebro, Monika; Mitoraj, Mariusz; Uthe, André; Klein, Axel; Köckerling, Martin
Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2.
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3142
3153
10.1039/c0dt01382j
0.71073
MoKα
0.0295
0.0276
null
null
0.0708
0.072
null
null
null
null
null
1.058
null
null
has coordinates
Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Srebro, Monika; Mitoraj, Mariusz; Uthe, André; Klein, Axel; Köckerling, Martin Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2. Dalton transactions (Cambridge, En...
301,847
2025-08-21
11:39:33
#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/52/7015231.cif $ #-------------------------------------------------------------------...
1,010,919
6.89
null
6.89
null
6.269
null
90
null
90
null
90
null
297.6
null
null
null
null
null
null
null
null
null
Synthetic
3
I 41/a m d :1
I 4bw 2bw -1bw
141
Yttrium arsenate
Chernovite
- As O4 Y -
- As O4 Y -
- As4 O16 Y4 -
4
0.125
Strada, M.; Schwendimann, G.
La struttura cristallina di alcuni fosfati ed arseniati di metalli trivalenti. II. Arseniato e fosfato di ittrio Locality: synthetic
Gazzetta Chimica Italiana
1,934
64
662
674
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Strada, M.; Schwendimann, G. La struttura cristallina di alcuni fosfati ed arseniati di metalli trivalenti. II. Arseniato e fosfato di ittrio Locality: synthetic Gazzetta Chimica Italiana 64 (1934) 662-674
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/1/01/09/1010919.cif $ #-------------------------------------------------------------------...
1,010,920
3.802
null
3.802
null
16.42999
null
90
null
90
null
120
null
205.7
null
null
null
null
null
null
null
null
null
from Summitville, Colorado
2
P 63/m m c
-P 6c 2c
194
Copper sulfide
Covellite
- Cu S -
- Cu S -
- Cu6 S6 -
6
0.25
Roberts, H S; Ksanda, C J
The Crystal Structure of Covellite
American Journal of Science, Serie 5(1,1921-1938)
1,929
17
489
503
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Roberts, H S; Ksanda, C J The Crystal Structure of Covellite American Journal of Science, Serie 5(1,1921-1938) 17 (1929) 489-503
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/1/01/09/1010920.cif $ #-------------------------------------------------------------------...
1,010,921
7.16
null
7.16
null
7.16
null
90
null
90
null
90
null
367.1
null
null
null
null
null
null
null
null
null
2
P 21 3
P 2ac 2ab 3
198
Silicon oxide
Cristobalite high
- O2 Si -
- O2 Si -
- O16 Si8 -
8
0.666667
Barth, T F W
The Cristobalite Structures. I. High-Cristobalite
American Journal of Science, Serie 5(1,1921-1938)
1,932
23
350
356
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Barth, T F W The Cristobalite Structures. I. High-Cristobalite American Journal of Science, Serie 5(1,1921-1938) 23 (1932) 350-356
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/1/01/09/1010921.cif $ #-------------------------------------------------------------------...
1,010,922
4.804
null
5.424
null
11.76
null
90
null
90
null
90
null
306.4
null
null
null
null
null
null
null
null
null
synthetic
2
P b n 21
P 2c -2ab
33
Antimony phyllo-tetraoxoantimonate
Cervantite
- O4 Sb2 -
- O4 Sb2 -
- O16 Sb8 -
4
1
Dihlstroem, K
Ueber den Bau des wahren Antimontetroxyds und des damit isomorphen Stibiotantalits, Sb Ta O4
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,938
239
57
64
10.1002/zaac.19382390107
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Dihlstroem, K Ueber den Bau des wahren Antimontetroxyds und des damit isomorphen Stibiotantalits, Sb Ta O4 Zeitschrift fuer Anorganische und Allgemeine Chemie 239 (1938) 57-64
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/1/01/09/1010922.cif $ #-------------------------------------------------------------------...
1,010,923
7
0.01
7
0.01
10.39
0.01
90
null
90
null
90
null
509.1
null
null
null
null
null
null
null
null
null
3
P 4/m n c
-P 4 2n
128
Pentasodium trialuminium fluoride
Chiolite
- Al3 F14 Na5 -
- Al3 F14 Na5 -
- Al6 F28 Na10 -
2
0.125
Brosset, C
Die Kristallstruktur des Chioliths
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,938
238
201
208
10.1002/zaac.19382380205
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Brosset, C Die Kristallstruktur des Chioliths Zeitschrift fuer Anorganische und Allgemeine Chemie 238 (1938) 201-208
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/1/01/09/1010923.cif $ #-------------------------------------------------------------------...
1,010,924
7.76
0.03
7.9
0.03
5.56
0.02
90
null
90
null
90
null
340.9
null
null
null
null
null
null
null
null
null
3
P n n m
-P 2 2n
58
Aluminium silicate oxide
Andalusite
- Al2 O5 Si -
- Al2 O5 Si -
- Al8 O20 Si4 -
4
0.5
Taylor, W H
The Structure of Andalusite, Al2 Si O5
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,929
71
205
218
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Taylor, W H The Structure of Andalusite, Al2 Si O5 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 71 (1929) 205-218
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010924.cif $ #-------------------------------------------------------------------...
7,015,230
13.9087
0.0006
13.9087
0.0006
8.8618
0.0007
90
null
90
null
90
null
1,714.33
0.17
293
2
293
2
null
null
null
null
7
P -4 21 m
P -4 2ab
113
- C0.5 H5 Ag1.25 N0.75 O0.5 Se3 Sn -
- C0.5 Ag1.25 N0.75 O0.5 Se3 Sn -
- C4 Ag10 N6 O4 Se24 Sn8 -
8
1
Li, Jian-Rong; Huang, Xiao-Ying
[(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4387
4390
10.1039/c0dt01381a
0.71073
MoKα
0.0494
0.0465
null
null
0.091
0.0927
null
null
null
null
null
1.152
null
null
has coordinates
Li, Jian-Rong; Huang, Xiao-Ying [(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4387-4390
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/7/01/52/7015230.cif $ #-------------------------------------------------------------------...
1,010,925
8.31
null
8.51
null
6.06
null
90
null
90
null
90
null
428.6
null
null
null
null
null
null
null
null
null
from Laurion, Greece
4
P n n m
-P 2 2n
58
Zinc arsenate hydroxide
Adamite
- As H O5 Zn2 -
- As H1.5 O5 Zn2 -
- As4 H6 O20 Zn8 -
4
0.5
Kokkoros, P
Ueber die Struktur von Adamin.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,937
96
417
434
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kokkoros, P Ueber die Struktur von Adamin. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 96 (1937) 417-434
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/1/01/09/1010925.cif $ #-------------------------------------------------------------------...
1,010,926
4.252
0.002
4.252
0.002
4.252
0.002
90
null
90
null
90
null
76.9
null
null
null
null
null
null
null
null
null
synthetic
2
P n -3 m :1
P 4n 2 3 -1n
224
Copper(I) oxide
Cuprite
- Cu2 O -
- Cu2 O -
- Cu4 O2 -
2
0.041667
Neuburger, M C
Praezisionsmessung der Gitterkonstante von Cuprooxyd Cu2 O
Zeitschrift fuer Physik
1,930
67
845
850
10.1007/BF01390765
null
null
null
null
null
null
null
null
null
null
null
null
null
1,000,063
null
has coordinates
Neuburger, M C Praezisionsmessung der Gitterkonstante von Cuprooxyd Cu2 O Zeitschrift fuer Physik 67 (1930) 845-850
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/1/01/09/1010926.cif $ #-------------------------------------------------------------------...
1,010,927
10.57
null
10.57
null
10.57
null
90
null
90
null
90
null
1,180.9
null
null
null
null
null
null
null
null
null
2
I 21 3
I 2b 2c 3
199
Thallium(III) oxide
Avicennite
- O3 Tl2 -
- O3 Tl2 -
- O48 Tl32 -
16
0.666667
Zachariasen, W
The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.
Norsk Geologisk Tidsskrift
1,927
9
310
316
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zachariasen, W The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium. Norsk Geologisk Tidsskrift 9 (1927) 310-316
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/1/01/09/1010927.cif $ #-------------------------------------------------------------------...
1,010,928
6.36
null
6.36
null
6.36
null
46.1
null
46.1
null
46.1
null
121.9
null
null
null
null
null
null
null
null
null
3
R -3 c RS
-P 3* 2n
167
Calcium carbonate
Calcite
- C Ca O3 -
- C Ca O3 -
- C2 Ca2 O6 -
2
null
Elliott, N
A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate
Journal of the American Chemical Society
1,937
59
1380
1382
10.1021/ja01286a065
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Elliott, N A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate Journal of the American Chemical Society 59 (1937) 1380-1382
301,772
2025-08-18
12:31:57
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010928.cif $ #-------------------------------------------------------------------...
1,010,929
5.228
null
5.228
null
5.228
null
90
null
90
null
90
null
142.9
null
null
null
null
null
null
null
null
null
from French Creek, Pa.
3
F -4 3 m
F -4 2 3
216
Copper iron sulfide
Chalcopyrite
- Cu Fe S2 -
- Cu Fe S2 -
- Cu2 Fe2 S4 -
2
0.020833
Burdick, C L; Ellis, J H
The Crystal Structure of Chalcopyrite Determined by X-Rays
Journal of the American Chemical Society
1,917
39
2519
2525
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Burdick, C L; Ellis, J H The Crystal Structure of Chalcopyrite Determined by X-Rays Journal of the American Chemical Society 39 (1917) 2519-2525
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/1/01/09/1010929.cif $ #-------------------------------------------------------------------...
1,010,930
3.928
null
3.928
null
5.12
null
90
null
90
null
120
null
68.4
null
null
null
null
null
null
null
null
null
from Andreasberg
2
P 63/m m c
-P 6c 2c
194
Nickel antimonide (1/1)
Breithauptite
- Ni Sb -
- Ni Sb -
- Ni2 Sb2 -
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/1/01/09/1010930.cif $ #-------------------------------------------------------------------...
7,015,229
13.9886
0.0008
13.9886
0.0008
8.8534
0.0013
90
null
90
null
90
null
1,732.4
0.3
293
2
293
2
null
null
null
null
8
P -4 21 m
P -4 2ab
113
- C0.1 H0.9 Ag1.25 Cs0.7 N0.05 O0.25 Se3 Sn -
- Ag1.25 Cs0.7 O0.25 Se3 Sn -
- Ag10 Cs5.6 O2 Se24 Sn8 -
8
1
Li, Jian-Rong; Huang, Xiao-Ying
[(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4387
4390
10.1039/c0dt01381a
0.71073
MoKα
0.0582
0.052
null
null
0.1423
0.1485
null
null
null
null
null
1.081
null
null
has coordinates
Li, Jian-Rong; Huang, Xiao-Ying [(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4387-4390
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/7/01/52/7015229.cif $ #-------------------------------------------------------------------...
1,010,931
4.511
null
5.047
null
6.738
null
90
null
90
null
90
null
153.404
null
null
null
null
null
null
null
null
null
synthetic
2
P n m a (c,a-1/4,b)
-P 2ac 2n (z,x,y+1/4)
62
Iron carbide (3/1)
Cohenite
- C Fe3 -
- C Fe3 -
- C4 Fe12 -
4
null
Shimura, Shigetaka
A Study on the Structure of Cementite
Proceedings of the Imperial Academy (Tokyo)
1,930
6
7
269
271
10.2183/pjab1912.6.269
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Shimura, Shigetaka A Study on the Structure of Cementite Proceedings of the Imperial Academy (Tokyo) 6(7) (1930) 269-271
282,478
2023-04-06
12:32:03
#------------------------------------------------------------------------------ #$Date: 2023-04-06 15:31:51 +0300 (Thu, 06 Apr 2023) $ #$Revision: 282478 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010931.cif $ #-------------------------------------------------------------------...
1,010,932
5.46
null
5.61
null
7.8
null
90
null
90.18
null
90
null
238.9
null
null
null
null
null
null
null
null
null
from Greenland
3
P 1 21/n 1
-P 2yn
14
Sodium hexafluoroaluminate
Cryolite
- Al F6 Na3 -
- Al F6 Na3 -
- Al2 F12 Na6 -
2
0.5
Náray-Szabó, St. v.; Sasvári, K.
Die Struktur des Kryoliths Na~3~AlF~6~
Zeitschrift für Kristallographie - Crystalline Materials
1,938
99
1-6
27
31
10.1524/zkri.1938.99.1.27
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Náray-Szabó, St. v.; Sasvári, K. Die Struktur des Kryoliths Na~3~AlF~6~ Zeitschrift für Kristallographie - Crystalline Materials 99(1-6) (1938) 27-31
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/1/01/09/1010932.cif $ #-------------------------------------------------------------------...
1,010,933
13.37
0.004
13.37
0.004
6.713
0.002
90
null
90
null
90
null
1,200
null
null
null
null
null
null
null
null
null
synthetic
6
P 4/n :1
P 4ab -1ab
85
Magnesium potassium bromide chloride hydrate (1/1/1.5/1.5/6)
Bromcarnallite
- Br1.5 Cl1.5 H12 K Mg O6 -
- Br1.5 Cl1.5 H12 K Mg O6 -
- Br6 Cl6 H48 K4 Mg4 O24 -
4
0.5
Andress, K R; Saffe, O
Roentgenographische Untersuchung der Mischkristallreihe Karnallit- Bromkarnallit
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,939
101
451
469
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Andress, K R; Saffe, O Roentgenographische Untersuchung der Mischkristallreihe Karnallit- Bromkarnallit Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 101 (1939) 451-469
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/1/01/09/1010933.cif $ #-------------------------------------------------------------------...
1,010,934
12.097
0.004
12.097
0.004
12.097
0.004
90
null
90
null
90
null
1,770.2
null
null
null
null
null
null
null
null
null
4
I a -3 d
-I 4bd 2c 3
230
Trilithium trisodium dialuminium fluoride
Cryolithionite
- Al2 F12 Li3 Na3 -
- Al2 F12 Li3 Na3 -
- Al16 F96 Li24 Na24 -
8
0.083333
Menzer, G
Die Kristallstruktur des Kryolithionit
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,930
75
265
287
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Menzer, G Die Kristallstruktur des Kryolithionit Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 75 (1930) 265-287
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/1/01/09/1010934.cif $ #-------------------------------------------------------------------...
1,010,935
18.5
null
17.89999
null
5.27
null
90
null
90
null
90
null
1,745.2
null
null
null
null
null
null
null
null
null
from Edwards, New York
4
P n m a
-P 2ac 2n
62
Magnesium hydrogensilicate *
Anthophyllite
- H2 Mg7 O24 Si8 -
- H3 Mg7 O24 Si8 -
- H12 Mg28 O96 Si32 -
4
0.5
Warren, B E; Modell, D I
The structure of Anthophyllite H2 Mg7 (Si O3)8
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,930
75
161
179
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Warren, B E; Modell, D I The structure of Anthophyllite H2 Mg7 (Si O3)8 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 75 (1930) 161-179
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/1/01/09/1010935.cif $ #-------------------------------------------------------------------...
7,015,228
13.8051
0.0008
13.8051
0.0008
9.6707
0.0009
90
null
90
null
90
null
1,843
0.2
293
2
293
2
null
null
null
null
6
P -4 21 m
P -4 2ab
113
- C1.5 H6 Ag1.25 N0.75 Se3 Sn -
- C1.5 H6.25 Ag1.25 N0.75 Se3 Sn -
- C12 H50 Ag10 N6 Se24 Sn8 -
8
1
Li, Jian-Rong; Huang, Xiao-Ying
[(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4387
4390
10.1039/c0dt01381a
0.71073
MoKα
0.0412
0.0366
null
null
0.0799
0.082
null
null
null
null
null
1.074
null
null
has coordinates
Li, Jian-Rong; Huang, Xiao-Ying [(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4387-4390
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/7/01/52/7015228.cif $ #-------------------------------------------------------------------...
1,010,936
4.518
null
5.069
null
6.736
null
90
null
90
null
90
null
154.3
null
null
null
null
null
null
null
null
null
synthetic
2
P b n m
-P 2c 2ab
62
Iron carbide (3/1)
Cohenite
- C Fe3 -
- C Fe3 -
- C4 Fe12 -
4
0.5
Hendricks, B S
The Crystal Structure of Cementite
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,930
74
534
545
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hendricks, B S The Crystal Structure of Cementite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 74 (1930) 534-545
293,657
2024-08-03
8:33:58
#------------------------------------------------------------------------------ #$Date: 2024-08-03 11:33:57 +0300 (Sat, 03 Aug 2024) $ #$Revision: 293657 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010936.cif $ #-------------------------------------------------------------------...
1,010,937
9
null
9
null
15.8
null
90
null
90
null
90
null
1,279.8
null
null
null
null
null
null
null
null
null
6
P 4/m n c
-P 4 2n
128
Calcium potassium silicate hydrate *
Apophyllite
- Ca4 F H16 K O28 Si8 -
- Ca4 F H16 K O28 Si8 -
- Ca8 F2 H32 K2 O56 Si16 -
2
0.125
Taylor, W H; Naray-Szabo, S
The Structure of Apophyllite
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,931
77
146
159
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Taylor, W H; Naray-Szabo, S The Structure of Apophyllite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 77 (1931) 146-159
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/1/01/09/1010937.cif $ #-------------------------------------------------------------------...
1,010,938
4.964
0.005
4.964
0.005
6.92
0.005
90
null
90
null
90
null
170.5
null
null
null
null
null
null
null
null
null
from Eschwege, Germany
2
P 41 21 2
P 4abw 2nw
92
Silicon oxide
Cristobalite low
- O2 Si -
- O2 Si -
- O8 Si4 -
4
0.5
Nieuwenkamp, W
Die Kristallstruktur des Tief-Cristobalits Si O2
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,935
92
82
88
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nieuwenkamp, W Die Kristallstruktur des Tief-Cristobalits Si O2 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 92 (1935) 82-88
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/1/01/09/1010938.cif $ #-------------------------------------------------------------------...
1,010,939
7.25
null
7.25
null
6.34
null
90
null
90
null
90
null
333.2
null
null
null
null
null
null
null
null
null
3
I 41/a m d :1
I 4bw 2bw -1bw
141
Calcium chromate
Chromatite
- Ca Cr O4 -
- Ca Cr O4 -
- Ca4 Cr4 O16 -
4
0.125
Clouse, J H
Investigations on the X-Ray Crystal Structures of Ca Cr O4, Ca Cr O4 * H2 O and Ca Cr O4 * (H2 O)2
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,932
83
161
171
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Clouse, J H Investigations on the X-Ray Crystal Structures of Ca Cr O4, Ca Cr O4 * H2 O and Ca Cr O4 * (H2 O)2 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 83 (1932) 161-171
301,772
2025-08-18
12:31:57
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010939.cif $ #-------------------------------------------------------------------...
1,010,940
5.24
null
5.24
null
10.3
null
90
null
90
null
90
null
282.8
null
null
null
null
null
null
null
null
null
3
I -4 2 d
I -4 2bw
122
Copper iron sulfide
Chalcopyrite
- Cu Fe S2 -
- Cu Fe S2 -
- Cu4 Fe4 S8 -
4
0.25
Pauling, L; Brockway, L O
The Crystal Structure of Chalkopyrite Cu Fe S2
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,932
82
188
194
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pauling, L; Brockway, L O The Crystal Structure of Chalkopyrite Cu Fe S2 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 82 (1932) 188-194
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/1/01/09/1010940.cif $ #-------------------------------------------------------------------...
7,015,227
13.998
0.002
13.998
0.002
8.6852
0.0017
90
null
90
null
90
null
1,701.8
0.5
293
2
293
2
null
null
null
null
8
P -4 21 m
P -4 2ab
113
- C0.2 H2.3 Ag1.25 N0.1 O0.75 Rb0.65 Se3 Sn -
- Ag1.25 O0.75 Rb0.65 Se3 Sn -
- Ag10 O6 Rb5.2 Se24 Sn8 -
8
1
Li, Jian-Rong; Huang, Xiao-Ying
[(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4387
4390
10.1039/c0dt01381a
0.71073
MoKα
0.076
0.0639
null
null
0.1399
0.1471
null
null
null
null
null
1.084
null
null
has coordinates
Li, Jian-Rong; Huang, Xiao-Ying [(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4387-4390
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/7/01/52/7015227.cif $ #-------------------------------------------------------------------...
1,010,941
4.26
null
4.26
null
4.26
null
90
null
90
null
90
null
77.3
null
null
null
null
null
null
null
null
null
2
P n -3 m :1
P 4n 2 3 -1n
224
Copper(I) oxide
Cuprite
- Cu2 O -
- Cu2 O -
- Cu4 O2 -
2
0.041667
Niggli, P
Die Kristallstruktur einiger Oxyde I.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,922
57
253
299
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Niggli, P Die Kristallstruktur einiger Oxyde I. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 57 (1922) 253-299
202,026
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-16 01:16:12 +0300 (Mon, 16 Oct 2017) $ #$Revision: 202026 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010941.cif $ #-------------------------------------------------------------------...
1,010,942
3.73
null
3.73
null
9.37
null
90
null
90
null
90
null
130.4
null
null
null
null
null
null
null
null
null
2
I 41/a m d :1
I 4bw 2bw -1bw
141
Titanium oxide
Anatase
- O2 Ti -
- O2 Ti -
- O8 Ti4 -
4
0.125
Parker, R L
Zur Kristallstruktur von Anastas und Rutil. (II. Teil. Die Anastasstruktur).
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,924
59
1
54
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Parker, R L Zur Kristallstruktur von Anastas und Rutil. (II. Teil. Die Anastasstruktur). Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 59 (1924) 1-54
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/1/01/09/1010942.cif $ #-------------------------------------------------------------------...
1,010,943
2.685
null
2.685
null
4.369
null
90
null
90
null
120
null
27.3
null
null
null
null
null
null
null
null
null
from Langban, Sweden
2
P 63 m c
P 6c -2c
186
Beryllium oxide
Bromellite
- Be O -
- Be O -
- Be2 O2 -
2
0.166667
Aminoff, G
Ueber Berylliumoxyd als Mineral und dessen Kristallstruktur.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,925
62
113
122
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Aminoff, G Ueber Berylliumoxyd als Mineral und dessen Kristallstruktur. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 62 (1925) 113-122
301,772
2025-08-18
12:31:57
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010943.cif $ #-------------------------------------------------------------------...
1,010,944
7.12
0.01
7.12
0.01
7.12
0.01
90
null
90
null
90
null
360.9
null
null
null
null
null
null
null
null
null
synthetic
2
F d -3 m :1
F 4d 2 3 -1d
227
Silicon dioxide - β
Cristobalite high
- O2 Si -
- O2 Si -
- O16 Si8 -
8
0.041667
Wyckoff, Ralph W. G.
IX. Die Kristallstruktur von β-Crystobalit SiO~2~ (bei hohen Temperaturen stabile Form)
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,925
62
1-6
189
200
10.1524/zkri.1925.62.1.189
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Wyckoff, Ralph W. G. IX. Die Kristallstruktur von β-Crystobalit SiO~2~ (bei hohen Temperaturen stabile Form) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 62(1-6) (1925) 189-200
200,079
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-01 21:32:57 +0300 (Fri, 01 Sep 2017) $ #$Revision: 200079 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010944.cif $ #-------------------------------------------------------------------...
1,010,945
6.43
null
6.43
null
6.43
null
90
null
90
null
90
null
265.8
null
null
null
null
null
null
null
null
null
2
F -4 3 m
F -4 2 3
216
Mercury telluride
Coloradoite
- Hg Te -
- Hg Te -
- Hg4 Te4 -
4
0.041667
de Jong, W F
Die Struktur des Tiemannit und Koloradoit.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,926
63
466
472
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
de Jong, W F Die Struktur des Tiemannit und Koloradoit. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 63 (1926) 466-472
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010945.cif $ #-------------------------------------------------------------------...
7,015,226
10.6151
0.0006
17.5119
0.001
23.4857
0.0013
90
null
90
null
90
null
4,365.8
0.4
100
2
100
2
null
null
null
null
6
P b c a
-P 2ac 2ab
61
- C22 H23 Cl N6 O2 Pt -
- C22 H23 Cl N6 O2 Pt -
- C176 H184 Cl8 N48 O16 Pt8 -
8
1
Hu, Jian Jin; Bai, Shi-Qiang; Yeh, Hsiu Hsuan; Young, David J.; Chi, Yun; Hor, T. S. Andy
N-heterocyclic carbene Pt(II) complexes from caffeine: synthesis, structures and photoluminescent properties.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4402
4406
10.1039/c0dt01380c
0.71073
MoKα
0.0325
0.0277
null
null
0.0683
0.0701
null
null
null
null
null
1.114
null
null
has coordinates
Hu, Jian Jin; Bai, Shi-Qiang; Yeh, Hsiu Hsuan; Young, David J.; Chi, Yun; Hor, T. S. Andy N-heterocyclic carbene Pt(II) complexes from caffeine: synthesis, structures and photoluminescent properties. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4402-4406
179,856
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:39:45 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179856 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/52/7015226.cif $ #-------------------------------------------------------------------...
1,010,946
9.458
0.003
9.458
0.003
9.458
0.003
90
null
90
null
90
null
846.1
null
null
null
null
null
null
null
null
null
from Mine Luushia, Katanga
3
F d -3 m :1
F 4d 2 3 -1d
227
Dicobalt(III) copper sulfide
Carrollite
- Co2 Cu S4 -
- Co2 Cu S4 -
- Co16 Cu8 S32 -
8
0.041667
de Jong, W F; Hoog, A
Carrollit (Sychnodymit).
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,928
66
168
171
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
de Jong, W F; Hoog, A Carrollit (Sychnodymit). Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 66 (1928) 168-171
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/1/01/09/1010946.cif $ #-------------------------------------------------------------------...
1,010,947
12.1
0.25
12.1
0.25
12.1
0.25
90
null
90
null
90
null
1,771.6
null
null
null
null
null
null
null
null
null
4
I a -3 d
-I 4bd 2c 3
230
Trisodium trilithium hexafluoroaluminate
Cryolithionite
- Al2 F12 Li3 Na3 -
- Al2 F12 Li3 Na3 -
- Al16 F96 Li24 Na24 -
8
0.083333
Menzer, G
Die Kristallstruktur von Kryolithionit.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,927
66
457
458
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Menzer, G Die Kristallstruktur von Kryolithionit. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 66 (1927) 457-458
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/1/01/09/1010947.cif $ #-------------------------------------------------------------------...
1,010,948
4.464
null
4.464
null
10.9
null
90
null
90
null
90
null
217.2
null
null
null
null
null
null
null
null
null
2
I 4/m m m
-I 4 2
139
Mercury(I) chloride
Calomel
- Cl2 Hg2 -
- Cl2 Hg2 -
- Cl4 Hg4 -
2
0.0625
Hylleraas, E
Die Anordnung der Atome in den tetragonalen Kristallen der einwertigen Quecksilberhalogenide Hg2 Cl2, Hg2 Br2, Hg2 J2. Berechnung der optischen Doppelbrechung von Hg2 Cl2.
Zeitschrift fuer Physik
1,926
36
859
896
10.1007/BF01400219
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hylleraas, E Die Anordnung der Atome in den tetragonalen Kristallen der einwertigen Quecksilberhalogenide Hg2 Cl2, Hg2 Br2, Hg2 J2. Berechnung der optischen Doppelbrechung von Hg2 Cl2. Zeitschrift fuer Physik 36 (1926) 859-896
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/1/01/09/1010948.cif $ #-------------------------------------------------------------------...
1,010,949
6.36
null
6.36
null
6.36
null
90
null
90
null
90
null
257.3
null
null
null
null
null
null
null
null
null
2
F -4 3 m
F -4 2 3
216
Mercury telluride
Coloradoite
- Hg Te -
- Hg Te -
- Hg4 Te4 -
4
0.041667
Zachariasen, W H
Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber
Norsk Geologisk Tidsskrift
1,926
8
302
306
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zachariasen, W H Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber Norsk Geologisk Tidsskrift 8 (1926) 302-306
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/1/01/09/1010949.cif $ #-------------------------------------------------------------------...
1,010,950
8.45
null
5.38
null
6.93
null
90
null
90
null
90
null
315
null
null
null
null
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
Lead sulfate
Anglesite
- O4 Pb S -
- O4 Pb S -
- O16 Pb4 S4 -
4
0.5
James, R. W.; Wood, W. A.
The Crystal Structures of Barytes, Celestine and Anglesite
Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)
1,925
109
598
620
10.1098/rspa.1925.0148
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
James, R. W.; Wood, W. A. The Crystal Structures of Barytes, Celestine and Anglesite Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 109 (1925) 598-620
301,772
2025-08-18
12:31:57
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010950.cif $ #-------------------------------------------------------------------...
1,010,951
5.13
0.02
5.13
0.02
5.13
0.02
55.27
0.08
55.27
0.08
55.27
0.08
85
null
null
null
null
null
null
null
null
null
2
R -3 c :R
-P 3* 2n
167
Aluminium oxide
Corundum
- Al2 O3 -
- Al2 O3 -
- Al4 O6 -
2
0.166667
Zachariasen, W H
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3
Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse
1,928
1,928
1
165
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zachariasen, W H Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3 Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse 1928 (1928) 1-165
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/1/01/09/1010951.cif $ #-------------------------------------------------------------------...
7,015,225
8.0003
0.0019
8.957
0.002
12.129
0.003
90
null
102.276
0.005
90
null
849.3
0.3
100
2
100
2
null
null
null
null
7
P 1 21/m 1
-P 2yb
11
- C11 H18 Br2 N4 O3 Pt S -
- C11 H18 Br2 N4 O3 Pt S -
- C22 H36 Br4 N8 O6 Pt2 S2 -
2
0.5
Hu, Jian Jin; Bai, Shi-Qiang; Yeh, Hsiu Hsuan; Young, David J.; Chi, Yun; Hor, T. S. Andy
N-heterocyclic carbene Pt(II) complexes from caffeine: synthesis, structures and photoluminescent properties.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4402
4406
10.1039/c0dt01380c
0.71073
MoKα
0.0647
0.0544
null
null
0.1434
0.1499
null
null
null
null
null
1.016
null
null
has coordinates,has disorder
Hu, Jian Jin; Bai, Shi-Qiang; Yeh, Hsiu Hsuan; Young, David J.; Chi, Yun; Hor, T. S. Andy N-heterocyclic carbene Pt(II) complexes from caffeine: synthesis, structures and photoluminescent properties. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4402-4406
179,856
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:39:45 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179856 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/52/7015225.cif $ #-------------------------------------------------------------------...
1,010,952
10.57
0.03
10.57
0.03
10.57
0.03
90
null
90
null
90
null
1,180.9
null
null
null
null
null
null
null
null
null
2
I 21 3
I 2b 2c 3
199
Thallium(III) oxide
Avicennite
- O3 Tl2 -
- O3 Tl2 -
- O48 Tl32 -
16
0.666667
Zachariasen, W H
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen A B O3
Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse
1,928
1,928
1
165
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zachariasen, W H Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen A B O3 Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse 1928 (1928) 1-165
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/1/01/09/1010952.cif $ #-------------------------------------------------------------------...
1,010,953
7.37
0.02
7.37
0.02
7.37
0.02
90
null
90
null
90
null
400.3
null
null
null
null
null
null
null
null
null
artificial
4
P 21 3
P 2ac 2ab 3
198
Sodium aluminate silicate *
Carnegieite high
- Al Na O4 Si -
- Al Na O4 Si -
- Al4 Na4 O16 Si4 -
4
0.333333
Barth, Tom F. W.; Posnjak, E.
Silicate structures of the cristobalite type: III. Structural relationship of high-cristobalite, α-Carnegieite, and Na~2~SiO~4~
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,932
81
1
376
385
10.1524/zkri.1932.81.1.376
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Barth, Tom F. W.; Posnjak, E. Silicate structures of the cristobalite type: III. Structural relationship of high-cristobalite, α-Carnegieite, and Na~2~SiO~4~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 81(1) (1932) 376-385
200,076
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-01 21:04:15 +0300 (Fri, 01 Sep 2017) $ #$Revision: 200076 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010953.cif $ #-------------------------------------------------------------------...
1,010,954
7.12
0.01
7.12
0.01
7.12
0.01
90
null
90
null
90
null
360.9
null
null
null
null
null
null
null
null
null
2
F 41 3 2
F 4d 2 3
210
Silicon oxide
Cristobalite high
- O2 Si -
- O2 Si -
- O16 Si8 -
8
0.083333
Wyckoff, R W G
The crystal structure of the high temperature form of Cristobalite (Si O2)
American Journal of Science, Serie 5(1,1921-1938)
1,925
9
448
459
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Wyckoff, R W G The crystal structure of the high temperature form of Cristobalite (Si O2) American Journal of Science, Serie 5(1,1921-1938) 9 (1925) 448-459
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/1/01/09/1010954.cif $ #-------------------------------------------------------------------...
1,010,955
3.8
null
3.8
null
16.39999
null
90
null
90
null
120
null
205.1
null
null
null
null
null
null
null
null
null
2
P 63/m m c
-P 6c 2c
194
Copper sulfide
Covellite
- Cu S -
- Cu S -
- Cu6 S6 -
6
0.25
Oftedal, I
Die Kristallstruktur des Covellins Cu S
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,932
83
9
25
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Oftedal, I Die Kristallstruktur des Covellins Cu S Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 83 (1932) 9-25
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010955.cif $ #-------------------------------------------------------------------...
1,010,956
5.166
null
8.468
null
6.146
null
90
null
90
null
90
null
268.9
null
null
null
null
null
null
null
null
null
3
P m c n S2
-P 2n 2a
62
Lead carbonate
Cerussite
- C O3 Pb -
- C O3 Pb -
- C4 O12 Pb4 -
4
null
Colby, M Y; LaCoste, L J B
The crystal structure of Cerussite
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,933
84
299
309
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Colby, M Y; LaCoste, L J B The crystal structure of Cerussite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 84 (1933) 299-309
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/1/01/09/1010956.cif $ #-------------------------------------------------------------------...
7,015,224
7.7607
0.0012
7.9068
0.0012
11.6111
0.0018
108.201
0.002
108.041
0.002
92.118
0.003
636.47
0.17
173
2
173
2
null
null
null
null
6
P -1
-P 1
2
05358
- C17 H42 Cl4 Mn2 N6 O -
- C17 H42 Cl4 Mn2 N6 O -
- C17 H42 Cl4 Mn2 N6 O -
1
0.5
Pawlak, Piotr L.; Panda, Manashi; Loloee, Reza; Kucera, Benjamin E.; Costes, Jean-Pierre; Tuchagues, Jean-Pierre; Chavez, Ferman A.
New binuclear Mn(II) and Fe(II) complexes supported by 1,4,8-triazacycloundecane.
Dalton transactions (Cambridge, England : 2003)
2,011
40
12
2926
2931
10.1039/c0dt01379j
0.71073
MoKα
0.0315
0.0253
null
null
0.0574
0.0596
null
null
null
null
null
1.033
null
null
has coordinates,has disorder
Pawlak, Piotr L.; Panda, Manashi; Loloee, Reza; Kucera, Benjamin E.; Costes, Jean-Pierre; Tuchagues, Jean-Pierre; Chavez, Ferman A. New binuclear Mn(II) and Fe(II) complexes supported by 1,4,8-triazacycloundecane. Dalton transactions (Cambridge, England : 2003) 40(12) (2011) 2926-2931
301,847
2025-08-21
11:39:33
#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/52/7015224.cif $ #-------------------------------------------------------------------...
1,010,957
7.37
null
7.37
null
7.37
null
90
null
90
null
90
null
400.3
null
null
null
null
null
null
null
null
null
\a - artificial
4
P 21 3
P 2ac 2ab 3
198
Sodium aluminium silicate
Carnegieite
- Al Na O4 Si -
- Al Na O4 Si -
- Al4 Na4 O16 Si4 -
4
0.333333
Barth, Tom F. W.; Posnjak, E.
Silicate structures of the cristobalite type: I. The crystal structure of α-carnegieite (NaAlSiO~4~)
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,932
81
1
135
141
10.1524/zkri.1932.81.1.135
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Barth, Tom F. W.; Posnjak, E. Silicate structures of the cristobalite type: I. The crystal structure of α-carnegieite (NaAlSiO~4~) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 81(1) (1932) 135-141
200,078
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-01 21:17:48 +0300 (Fri, 01 Sep 2017) $ #$Revision: 200078 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010957.cif $ #-------------------------------------------------------------------...
1,010,958
7.094
0.007
7.094
0.007
9.718
0.008
90
null
90
null
120
null
423.5
null
null
null
null
null
null
null
null
null
from W. Cheyenne Canon, Colorado
5
P -6 2 c
P -6c -2c
190
Cerium lanthanum fluoride carbonate (.5/.5/1/1)
Bastnaesite (La)
- C Ce0.5 F La0.5 O3 -
- C0.333333 Ce0.5 F La0.5 O2.33333 -
- C2 Ce3 F6 La3 O14 -
6
0.5
Oftedal, I
Zur Kristallstruktur von Bastnaesit (Ce La) F C O3
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,931
78
462
469
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Oftedal, I Zur Kristallstruktur von Bastnaesit (Ce La) F C O3 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 78 (1931) 462-469
208,910
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-07-07 06:25:59 +0300 (Sat, 07 Jul 2018) $ #$Revision: 208910 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010958.cif $ #-------------------------------------------------------------------...
1,010,959
6.6
0.01
6.6
0.01
9.71
0.01
90
null
90
null
120
null
366.3
null
null
null
null
null
null
null
null
null
from St. Benito, California
4
P -6 c 2
P -6c 2
188
Barium titanium cyclo-trisilicate
Benitoite
- Ba O9 Si3 Ti -
- Ba O9 Si3 Ti -
- Ba2 O18 Si6 Ti2 -
2
0.166667
Zachariasen, W H
The crystal structure of Benitoite Ba Ti Si3 O9
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,930
74
139
146
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zachariasen, W H The crystal structure of Benitoite Ba Ti Si3 O9 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 74 (1930) 139-146
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/1/01/09/1010959.cif $ #-------------------------------------------------------------------...
1,010,960
14.66
null
18.5
null
5.33
null
90
null
93.27
null
90
null
1,443.2
null
null
null
null
null
null
null
null
null
from Thedford Mines, Canada
4
C 1 2/m 1
-C 2y
12
Hexamagnesium closo-undecaoxodisilicate hexahydroxide hydrate
Chrysotile
- H8 Mg6 O18 Si4 -
- H8 Mg6 O18 Si4 -
- H32 Mg24 O72 Si16 -
4
0.5
Warren, B E; Bragg, W L
The crystal structure of chrysotile H4 Mg3 Si2 O9
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,931
76
201
210
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Warren, B E; Bragg, W L The crystal structure of chrysotile H4 Mg3 Si2 O9 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 76 (1931) 201-210
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/1/01/09/1010960.cif $ #-------------------------------------------------------------------...
1,010,961
4.517
null
5.07
null
6.73
null
90
null
90
null
90
null
154.1
null
null
null
null
null
null
null
null
null
synthetic
2
P b n m
-P 2c 2ab
62
Iron carbide (3/1)
Cohenite
- C Fe3 -
- C Fe3 -
- C4 Fe12 -
4
0.5
Westgren, A
Cementitens kristallstruktur
Jernkontorets Annaler
1,932
1,932
457
468
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Westgren, A Cementitens kristallstruktur Jernkontorets Annaler 1932 (1932) 457-468
278,158
2022-09-26
15:28:11
#------------------------------------------------------------------------------ #$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $ #$Revision: 278158 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010961.cif $ #-------------------------------------------------------------------...
1,010,962
6.36
null
6.36
null
6.36
null
46.1
null
46.1
null
46.1
null
121.9
null
null
null
null
null
null
null
null
null
from Iceland
3
R -3 c RS
-P 3* 2n
167
Calcium carbonate
Calcite
- C Ca O3 -
- C Ca O3 -
- C2 Ca2 O6 -
2
null
Wyckoff, R W G
The Crystal Structures of some Carbonates of the Calcite Group
American Journal of Science, Serie 4(-1920)
1,920
50
317
360
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Wyckoff, R W G The Crystal Structures of some Carbonates of the Calcite Group American Journal of Science, Serie 4(-1920) 50 (1920) 317-360
205,139
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-13 03:00:55 +0200 (Sat, 13 Jan 2018) $ #$Revision: 205139 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010962.cif $ #-------------------------------------------------------------------...
7,015,223
7.7321
0.0012
7.8896
0.0012
11.4945
0.0017
107.832
0.002
107.827
0.002
92.642
0.002
627.85
0.17
173
2
173
2
null
null
null
null
6
P -1
-P 1
2
05357
- C17 H42 Cl4 Fe2 N6 O -
- C17 H42 Cl4 Fe2 N6 O -
- C17 H42 Cl4 Fe2 N6 O -
1
0.5
Pawlak, Piotr L.; Panda, Manashi; Loloee, Reza; Kucera, Benjamin E.; Costes, Jean-Pierre; Tuchagues, Jean-Pierre; Chavez, Ferman A.
New binuclear Mn(II) and Fe(II) complexes supported by 1,4,8-triazacycloundecane.
Dalton transactions (Cambridge, England : 2003)
2,011
40
12
2926
2931
10.1039/c0dt01379j
0.71073
MoKα
0.0271
0.023
null
null
0.0596
0.0626
null
null
null
null
null
1.052
null
null
has coordinates,has disorder
Pawlak, Piotr L.; Panda, Manashi; Loloee, Reza; Kucera, Benjamin E.; Costes, Jean-Pierre; Tuchagues, Jean-Pierre; Chavez, Ferman A. New binuclear Mn(II) and Fe(II) complexes supported by 1,4,8-triazacycloundecane. Dalton transactions (Cambridge, England : 2003) 40(12) (2011) 2926-2931
301,847
2025-08-21
11:39:33
#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/52/7015223.cif $ #-------------------------------------------------------------------...
1,010,963
4.258
0.004
4.258
null
4.258
null
90
null
90
null
90
null
77.2
null
null
null
null
null
null
null
null
null
synthetic
2
P n -3 m :1
P 4n 2 3 -1n
224
Copper(I) oxide
Cuprite
- Cu2 O -
- Cu2 O -
- Cu4 O2 -
2
0.041667
Yamaguti, T
An investigation on oxidation of crystal surfaces with electron diffraction method, II.- copper single crystals
Proceedings of the Physico-Mathematical Society of Japan
1,938
20
230
241
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Yamaguti, T An investigation on oxidation of crystal surfaces with electron diffraction method, II.- copper single crystals Proceedings of the Physico-Mathematical Society of Japan 20 (1938) 230-241
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/1/01/09/1010963.cif $ #-------------------------------------------------------------------...
1,010,964
6.37
null
6.37
null
6.58
null
90
null
90
null
90
null
267
null
null
null
null
null
null
null
null
null
from Rustenburg and Potgietersrust, S.Africa
4
P 42/m
-P 4c
84
Platinum palladium nickel sulfide (.6/.3/.1/1)
Braggite
- Ni0.13 Pd0.31 Pt0.56 S -
8
1
Bannister, F A
The discovery of braggite
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,937
96
201
202
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Bannister, F A The discovery of braggite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 96 (1937) 201-202
278,158
2022-09-26
15:28:11
#------------------------------------------------------------------------------ #$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $ #$Revision: 278158 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010964.cif $ #-------------------------------------------------------------------...
1,010,965
7.05
null
7.05
null
7.05
null
59.03
null
59.03
null
59.03
null
242.3
null
null
null
null
null
null
null
null
null
5
R -3 m :R
-P 3* 2
166
Potassium trialuminium hexahydroxide bis(sulfate)
Alunite
- Al3 H6 K O14 S2 -
1
0.083333
Gossner, B
Ueber Sulfate und Phosphate mit aehnlichem Kristallgitter
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,937
96
488
492
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Gossner, B Ueber Sulfate und Phosphate mit aehnlichem Kristallgitter Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 96 (1937) 488-492
278,158
2022-09-26
15:28:11
#------------------------------------------------------------------------------ #$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $ #$Revision: 278158 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010965.cif $ #-------------------------------------------------------------------...
1,010,966
19.04999
0.03
23.81999
0.03
4.047
0.001
90
null
90
null
90
null
1,836.4
null
null
null
null
null
null
null
null
null
from Mondoux Claim, Mc-Elroy Township, Timiskaming District,
3
P b n m
-P 2c 2ab
62
Lead sulfide bismuth sulfide *
Cosalite
- Bi2 Pb2 S5 -
8
1
Peacock, M A; Berry, L G
Roentgenographic observations on ore minerals
University of Toronto Studies, Geological Series
1,940
44
47
69
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Peacock, M A; Berry, L G Roentgenographic observations on ore minerals University of Toronto Studies, Geological Series 44 (1940) 47-69
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/1/01/09/1010966.cif $ #-------------------------------------------------------------------...
1,010,967
11.72
0.03
14.52
0.03
4.07
0.02
90
null
90
null
90
null
692.6
null
null
null
null
null
null
null
null
null
from Kogrufvan, Nordmark Mines, Sweden
3
P n a m
-P 2c 2n
62
Lead dibismuthum sulfide
Galenobismutite
- Bi2 Pb S4 -
4
0.5
Peacock, M A; Berry, L G
Roentgenographic observations on ore minerals
University of Toronto Studies, Geological Series
1,940
44
47
69
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Peacock, M A; Berry, L G Roentgenographic observations on ore minerals University of Toronto Studies, Geological Series 44 (1940) 47-69
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/1/01/09/1010967.cif $ #-------------------------------------------------------------------...
7,015,222
27.719
0.012
22.208
0.012
20.173
0.01
90
null
119.209
0.009
90
null
10,839
9
293
2
293
2
null
null
null
null
7
C 1 2/m 1
-C 2y
12
- C92 H98 F12 Ir4 N8 O13 S4 -
- C90 H96 F6 Ir4 N8 O7 S2 -
- C360 H384 F24 Ir16 N32 O28 S8 -
4
0.5
Li, Hao; Han, Ying-Feng; Jin, Guo-Xin
Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour.
Dalton transactions (Cambridge, England : 2003)
2,011
40
18
4982
4993
10.1039/c0dt01377c
0.71073
MoKα
0.111
0.0529
null
null
0.1226
0.1359
null
null
null
null
null
0.828
null
null
has coordinates
Li, Hao; Han, Ying-Feng; Jin, Guo-Xin Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour. Dalton transactions (Cambridge, England : 2003) 40(18) (2011) 4982-4993
179,856
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:39:45 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179856 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/52/7015222.cif $ #-------------------------------------------------------------------...
1,010,968
13.9
null
12.55
null
14.9
null
90
null
90
null
90
null
2,599.2
null
null
null
null
null
null
null
null
null
from the Uranium Mine, Shinkolobwe, Katanga, Belgisch Kon
3
null
Diuranium(VI) oxide trihydrate
Becquerelite
- H6 O9 U2 -
4
null
Billiet, V; De Jong, W F
Schoepiet en Becquereliet
Nachrichten der Akademie der Wissenschaften, Goettingen, Mathematisch- Physikalisch-Chemische Abteilung
1,935
1,935
157
162
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Billiet, V; De Jong, W F Schoepiet en Becquereliet Nachrichten der Akademie der Wissenschaften, Goettingen, Mathematisch- Physikalisch-Chemische Abteilung 1935 (1935) 157-162
77,586
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $ #$Revision: 77586 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010968.cif $ #--------------------------------------------------------------------...
1,010,969
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
5
null
Calcium thiosilicate fluoride *
Ellestadite
- Ca10 F2 O24 S3 Si3 -
null
null
Klement, R
Isomorpher Ersatz des Phosphors in Apatiten durch Silicium und Schwefel
Naturwissenschaften
1,939
27
57
58
10.1007/BF01488937
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Klement, R Isomorpher Ersatz des Phosphors in Apatiten durch Silicium und Schwefel Naturwissenschaften 27 (1939) 57-58
120,071
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120071 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010969.cif $ #-------------------------------------------------------------------...
1,010,970
10.28
null
10.28
null
10.28
null
90
null
90
null
90
null
1,086.4
null
null
null
null
null
null
null
null
null
from Minas Geraes
4
null
Dicalcium diantimony(V) difluoride oxide
Romeite
- Ca2 F2 O6 Sb2 -
1
null
Aminoff, G
On the Minerals Weslienite and Atopite.
Kunglia Svenska Vetenskaps Akademiens Handlingar
1,933
11
14
18
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Aminoff, G On the Minerals Weslienite and Atopite. Kunglia Svenska Vetenskaps Akademiens Handlingar 11 (1933) 14-18
77,586
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $ #$Revision: 77586 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010970.cif $ #--------------------------------------------------------------------...
1,010,971
13.44
null
13.44
null
8.72
null
90
null
90
null
120
null
1,364.1
null
null
null
null
null
null
null
null
null
from Langbanshyttan
3
null
Trimanganese diarsenic hexaoxide
Armangite
- As2 Mn3 O6 -
9
null
Aminoff, G
Lattice Dimensions of the Mineral Armanganite.
Kunglia Svenska Vetenskaps Akademiens Handlingar
1,933
11
19
20
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Aminoff, G Lattice Dimensions of the Mineral Armanganite. Kunglia Svenska Vetenskaps Akademiens Handlingar 11 (1933) 19-20
77,586
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $ #$Revision: 77586 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010971.cif $ #--------------------------------------------------------------------...
1,010,972
19.34
null
23.06
null
4.95
null
90
null
90
null
90
null
2,207.6
null
null
null
null
null
null
null
null
null
from Switzerland
6
null
Calcium silicon aluminium beryllium oxide hydroxide (4/9/2/1/24/4)
Bavenite
- Al2 Be Ca4 H4 O28 Si9 -
4
null
Claringbull, G F
Occurences of Bavenite in Switzerland.
Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)
1,940
25
495
497
10.1180/minmag.1940.025.168.04
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Claringbull, G F Occurences of Bavenite in Switzerland. Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968) 25 (1940) 495-497
278,158
2022-09-26
15:28:11
#------------------------------------------------------------------------------ #$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $ #$Revision: 278158 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010972.cif $ #-------------------------------------------------------------------...
1,010,973
34.03999
0.05
34.03999
0.05
17.48999
0.05
90
null
90
null
90
null
20,266
null
null
null
null
null
null
null
null
null
from the British Museum
9
P 42/m n m
-P 4n 2n
136
Sodium potassium calcium magnesium manganese aluminium silicate hydrate *
Ashcroftine
- Al4 Ca H16 K Mg Mn Na O26 Si5 -
40
2.5
Hey, M H; Bannister, F A
Studies on the Zeolites. Part IV. Ashcroftine (Kalithomsonite of S. G. Gordon).
Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)
1,933
23
305
308
10.1180/minmag.1933.023.140.02
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Hey, M H; Bannister, F A Studies on the Zeolites. Part IV. Ashcroftine (Kalithomsonite of S. G. Gordon). Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968) 23 (1933) 305-308
278,158
2022-09-26
15:28:11
#------------------------------------------------------------------------------ #$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $ #$Revision: 278158 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010973.cif $ #-------------------------------------------------------------------...
1,010,974
4.144
0.001
4.144
0.001
4.144
0.001
90
null
90
null
90
null
71.2
null
null
null
null
null
null
null
null
null
synthetic at 1373 K
2
F m -3 m
-F 4 2 3
225
Chromium nitride
Carlsbergite
- Cr N -
- Cr N -
- Cr4 N4 -
4
0.020833
Blix, R
Roentgenanalyse des Chrom-Stickstoffsystems nebst einer orientierten Konstitutionsuntersuchung des stickstoffhaltigen Ferrochroms
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie
1,929
3
229
239
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Blix, R Roentgenanalyse des Chrom-Stickstoffsystems nebst einer orientierten Konstitutionsuntersuchung des stickstoffhaltigen Ferrochroms Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 3 (1929) 229-239
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/1/01/09/1010974.cif $ #-------------------------------------------------------------------...
7,015,221
27.594
0.009
12.355
0.004
12.452
0.004
90
null
96.464
0.004
90
null
4,218
2
293
2
293
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C43 H50 Cl4 Ir2 N2 O2 -
- C43 H50 Cl4 Ir2 N2 O2 -
- C172 H200 Cl16 Ir8 N8 O8 -
4
0.5
Li, Hao; Han, Ying-Feng; Jin, Guo-Xin
Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour.
Dalton transactions (Cambridge, England : 2003)
2,011
40
18
4982
4993
10.1039/c0dt01377c
0.71073
MoKα
0.0415
0.0304
null
null
0.0739
0.0765
null
null
null
null
null
0.947
null
null
has coordinates
Li, Hao; Han, Ying-Feng; Jin, Guo-Xin Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour. Dalton transactions (Cambridge, England : 2003) 40(18) (2011) 4982-4993
179,856
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:39:45 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179856 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/52/7015221.cif $ #-------------------------------------------------------------------...
1,010,975
9.611
null
9.611
null
9.611
null
90
null
90
null
90
null
887.8
null
null
null
null
null
null
null
null
null
from Mina San Antonio, Copiapa, Chile
2
I -4 3 d
I -4bd 2c 3
220
Copper(I) arsenide
Domeykite low
- As Cu3 -
- As Cu3 -
- As16 Cu48 -
16
0.333333
Steenberg, B
The Crystal Structure of Cu3 As and Cu3 P
Arkiv foer Kemi, Mineralogi och Geologi, A
1,938
12
2
1
15
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Steenberg, B The Crystal Structure of Cu3 As and Cu3 P Arkiv foer Kemi, Mineralogi och Geologi, A 12(2) (1938) 1-15
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/1/01/09/1010975.cif $ #-------------------------------------------------------------------...
1,010,976
7.137
0.004
7.137
0.004
7.295
0.005
90
null
90
null
120
null
321.8
null
null
null
null
null
null
null
null
null
from W. Cheyenne Canon, Colorado, USA
2
P 63 2 2
P 6c 2c
182
Cerium fluoride
Fluocerite (Ce)
- Ce F3 -
- Ce F3 -
- Ce6 F18 -
6
0.5
Oftedal, I
Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie
1,929
5
272
292
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Oftedal, I Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 5 (1929) 272-292
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010976.cif $ #-------------------------------------------------------------------...
1,010,977
3.99
null
3.99
null
5.01
null
90
null
90
null
90
null
79.8
null
null
null
null
null
null
null
null
null
synthetic from melt with KOH
2
P 4/n m m :1
P 4ab 2ab -1ab
129
Lead oxide
Litharge
- O Pb -
- O Pb -
- O2 Pb2 -
2
0.125
Dickinson, R G; Friauf, J B
The crystal structure of tetragonal lead monoxide
Journal of the American Chemical Society
1,924
46
2457
2462
10.1021/ja01676a015
null
0.092
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Dickinson, R G; Friauf, J B The crystal structure of tetragonal lead monoxide Journal of the American Chemical Society 46 (1924) 2457-2462
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/1/01/09/1010977.cif $ #-------------------------------------------------------------------...
1,010,978
5.3437
0.0035
5.3437
0.0035
5.3437
0.0035
90
null
90
null
90
null
152.6
null
null
null
null
null
null
null
null
null
synthetic
2
F m -3 m
-F 4 2 3
225
Potassium fluoride
Carobbiite
- F K -
- F K -
- F4 K4 -
4
0.020833
Broch, E; Oftedal, I; Pabst, A
Neubestimmung der Gitterkonstanten von KF, CsCl und BaF2
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie
1,929
3
209
214
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Broch, E; Oftedal, I; Pabst, A Neubestimmung der Gitterkonstanten von KF, CsCl und BaF2 Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 3 (1929) 209-214
301,772
2025-08-18
12:31:57
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301772 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/09/1010978.cif $ #-------------------------------------------------------------------...
7,015,220
22.261
0.012
8.705
0.005
22.589
0.012
90
null
90.839
0.007
90
null
4,377
4
293
2
293
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C40 H44 Cl2 Ir2 N2 -
- C40 H44 Cl2 Ir2 N2 -
- C160 H176 Cl8 Ir8 N8 -
4
0.5
Li, Hao; Han, Ying-Feng; Jin, Guo-Xin
Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour.
Dalton transactions (Cambridge, England : 2003)
2,011
40
18
4982
4993
10.1039/c0dt01377c
0.71073
MoKα
0.0516
0.0339
null
null
0.0683
0.0705
null
null
null
null
null
0.822
null
null
has coordinates,has disorder
Li, Hao; Han, Ying-Feng; Jin, Guo-Xin Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour. Dalton transactions (Cambridge, England : 2003) 40(18) (2011) 4982-4993
179,856
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:39:45 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179856 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/52/7015220.cif $ #-------------------------------------------------------------------...
1,010,979
7.4
null
8.06
null
3.74
null
90
null
90
null
90
null
223.1
null
null
null
null
null
null
null
null
null
4
P b m n
-P 2ab 2ab
53
Copper dichloride dihydrate
Eriochalcite
- Cl2 Cu H4 O2 -
- Cl2 Cu H4 O2 -
- Cl4 Cu2 H8 O4 -
2
0.25
MacGillavry, C H; Bijvoet, J M
Die Kristallstruktur der Cadmium- und QuecksilberDiammin-Dihalogenide
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
1,936
94
231
245
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
MacGillavry, C H; Bijvoet, J M Die Kristallstruktur der Cadmium- und QuecksilberDiammin-Dihalogenide Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 231-245
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/1/01/09/1010979.cif $ #-------------------------------------------------------------------...