LMucko/crystallography-open-database · Datasets at Hugging Face

1,009,021

5.5

null

5.5

null

4.5

null

90

null

90

null

120

null

117.9

null

3

P 63/m m c

-P 6c 2c

194

Manganese platinum nitride (3/1/0.25)

- Mn3 N0.25 Pt -

- Mn6 N0.5 Pt2 -

2

0.083333

Kren, E; Kadar, G; Barberon, M; Fruchart, R

Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25

International Journal of Magnetism

1,971

1

341

344

null

has coordinates

Kren, E; Kadar, G; Barberon, M; Fruchart, R Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25 International Journal of Magnetism 1 (1971) 341-344

176,435

2020-10-21

18:00:00

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1,009,022

12.321

0.009

12.321

0.009

12.321

0.009

90

null

90

null

90

null

1,870

2

300

2

300

2

null

4

I a -3 d

-I 4bd 2c 3

230

Garnet

- Ca3 Fe2 Ge3 O12 -

- Ca24 Fe16 Ge24 O96 -

8

0.083333

BR1247

Lévy, David; Barbier, Jacques

Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~

Acta Crystallographica Section C

1,999

55

10

1611

1614

10.1107/S0108270199007854

0.71073

MoKα

0.044

0.03

null

0.068

null

1.253

2,009,000

null

has coordinates

Lévy, David; Barbier, Jacques Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~ Acta Crystallographica Section C 55(10) (1999) 1611-1614

176,729

2020-10-21

18:00:00

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1,009,023

12.8059

0.0008

12.8059

0.0008

12.8059

0.0008

90

null

90

null

90

null

2,100.1

0.2

299

2

299

2

null

4

I a -3 d

-I 4bd 2c 3

230

Garnet

- Ca3 Ge3 O12 Y2 -

- Ca24 Ge24 O96 Y16 -

8

0.083333

BR1247

Lévy, David; Barbier, Jacques

Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~

Acta Crystallographica Section C

1,999

55

10

1611

1614

10.1107/S0108270199007854

0.71073

MoKα

0.05

0.031

null

0.087

null

1.179

2,009,001

null

has coordinates

Lévy, David; Barbier, Jacques Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~ Acta Crystallographica Section C 55(10) (1999) 1611-1614

176,729

2020-10-21

18:00:00

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1,009,024

12.2489

0.0012

12.2489

0.0012

12.2489

0.0012

90

null

90

null

90

null

1,837.8

0.3

299

2

299

2

null

4

I a -3 d

-I 4bd 2c 3

230

Garnet

- Ge3 Mg3 O12 Y2 -

- Ge3 Mg2.99 O12 Y2.01 -

- Ge24 Mg23.92 O96 Y16.08 -

8

0.083333

BR1247

Lévy, David; Barbier, Jacques

Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~

Acta Crystallographica Section C

1,999

55

10

1611

1614

10.1107/S0108270199007854

0.71073

MoKα

0.058

0.032

null

0.075

null

1.187

2,009,002

null

has coordinates

Lévy, David; Barbier, Jacques Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~ Acta Crystallographica Section C 55(10) (1999) 1611-1614

176,729

2020-10-21

18:00:00

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1,009,025

3.999

0.001

3.999

0.001

4.12

0.001

90

null

90

null

90

null

65.9

null

4

P 4 m m

P 4 -2

99

Lead hafnium titanium oxide (1/0.4/0.6/3)

- Hf0.4 O3 Pb Ti0.6 -

- Hf0.42 O3 Pb Ti0.58 -

1

0.125

Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M

Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3

Acta Crystallographica B (39,1983-)

1,999

55

8

16

null

0.087

null

has coordinates

Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 Acta Crystallographica B (39,1983-) 55 (1999) 8-16

176,435

2020-10-21

18:00:00

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7,015,384

12.0489

0.0005

21.8143

0.001

16.8981

0.0008

90

null

96.195

0.002

90

null

4,415.5

0.3

180

2

180

2

null

6

P 1 21/n 1

-P 2yn

14

- C42 H48 Cl Co2 N7 O9 -

- C168 H192 Cl4 Co8 N28 O36 -

4

1

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.

Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

13

3336

3345

10.1039/c0dt01552k

0.71073

MoKα

0.0714

0.0379

null

0.0878

0.1001

null

1.018

null

has coordinates

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J. Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3336-3...

301,847

2025-08-21

11:39:34

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1,009,026

4.012

0.001

4.012

0.001

4.1

0.001

90

null

90

null

90

null

66

null

4

P 4 m m

P 4 -2

99

Lead hafnium titanium oxide (1/0.4/0.6/3)

- Hf0.4 O3 Pb Ti0.6 -

- Hf0.42 O3 Pb Ti0.58 -

1

0.125

Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M

Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3

Acta Crystallographica B (39,1983-)

1,999

55

8

16

null

0.073

null

has coordinates

Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 Acta Crystallographica B (39,1983-) 55 (1999) 8-16

176,435

2020-10-21

18:00:00

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1,009,027

4.046

0.001

4.046

0.001

4.046

0.001

90

null

90

null

90

null

66.2

null

4

P m -3 m

-P 4 2 3

221

Lead hafnium titanium oxide (1/0.4/0.6/3)

- Hf0.4 O3 Pb Ti0.6 -

- Hf0.42 O3 Pb Ti0.582 -

1

0.020833

Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M

Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3

Acta Crystallographica B (39,1983-)

1,999

55

8

16

null

0.046

null

has coordinates

Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 Acta Crystallographica B (39,1983-) 55 (1999) 8-16

176,435

2020-10-21

18:00:00

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1,009,028

12.319

0.005

6.374

0.002

11.048

0.004

90

null

90

null

90

null

867.5

null

4

P c 21 n

P -2n -2ac

33

Lithiumozonide - ammonia(1/5)

- H15 Li N5 O3 -

- H60 Li4 N20 O12 -

4

1

Klein, W M; Jansen, M

Darstellung und Kristallstruktur von LithiumozonidAmmoniakat (1/5) (Li O3) 5(N H3)

Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)

1,999

54

1345

1349

null

0.0986

null

has coordinates

Klein, W M; Jansen, M Darstellung und Kristallstruktur von LithiumozonidAmmoniakat (1/5) (Li O3) 5(N H3) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 54 (1999) 1345-1349

130,149

2020-10-21

18:00:00

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1,009,029

5.67

null

5.67

null

6.81

null

90

null

90

null

90

null

218.9

null

3

I 4/m c m

-I 4 2c

140

Potassium hydrogendifluoride - $-alpha

- F2 H K -

- F8 H4 K4 -

4

0.125

Peterson, S W; Levy, H A

A single crystal neutron diffraction determination of the hydrogen position in potassium bifluoride

Journal of Chemical Physics

1,952

20

704

707

10.1063/1.1700520

null

has coordinates

Peterson, S W; Levy, H A A single crystal neutron diffraction determination of the hydrogen position in potassium bifluoride Journal of Chemical Physics 20 (1952) 704-707

176,435

2020-10-21

18:00:00

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7,015,383

10.0416

0.0013

11.1647

0.0015

20.987

0.003

81.088

0.006

84.15

0.005

77.758

0.005

2,265.8

0.5

180

2

180

2

null

7

P -1

-P 1

2

- C42 H42 Cl F6 Mn2 N7 O9 -

- C84 H84 Cl2 F12 Mn4 N14 O18 -

2

1

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.

Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

13

3336

3345

10.1039/c0dt01552k

0.71073

MoKα

0.0369

0.0279

null

0.0724

0.0755

null

1.075

null

has coordinates

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J. Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3336-3...

179,857

2020-10-21

18:00:00

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1,009,030

7.02

null

5.44

null

5.24

null

90

null

90.1

null

90

null

200.1

null

4

P 1 n 1

P -2yac

7

Disodium zinc silicate

- Na2 O4 Si Zn -

- Na4 O8 Si2 Zn2 -

2

1

Joubert-Bettan, C A; Lachenal, R; Bertaut, E F; Parthe, E

The crystal structures of Na2 Zn Si O4, Na2 Zn Ge O4 and Na2 Mg Ge O4

Journal of Solid State Chemistry

1,969

1

5

10.1016/0022-4596(69)90001-2

null

0.15

null

has coordinates

Joubert-Bettan, C A; Lachenal, R; Bertaut, E F; Parthe, E The crystal structures of Na2 Zn Si O4, Na2 Zn Ge O4 and Na2 Mg Ge O4 Journal of Solid State Chemistry 1 (1969) 1-5

130,149

2020-10-21

18:00:00

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1,009,031

3.03

0.01

3.03

0.01

5.33

0.02

90

null

90

null

90

null

48.9

null

synthetic

2

P 42/m m c (a,b+1/2,c)

-P 4c 2 (x,y+1/2,z)

131

Palladium oxide

Palladinite

- O Pd -

- O2 Pd2 -

2

null

Waser, J.; Levy, H. A.; Peterson, S. W.

The structure of PdO Locality: synthetic

Acta Crystallographica

1,953

6

661

663

10.1107/S0365110X53001800

null

has coordinates

Waser, J.; Levy, H. A.; Peterson, S. W. The structure of PdO Locality: synthetic Acta Crystallographica 6 (1953) 661-663

287,588

2023-11-14

18:05:45

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1,009,032

4.1132

null

4.1132

null

4.1132

null

90

null

90

null

90

null

69.6

null

2

P m -3 m

-P 4 2 3

221

Thorium boride (1/6)

- B6 Th -

1

0.020833

Blum, P; Bertaut, F

Contribution a l'etude des borures a teneur elevee en bore

Acta Crystallographica (1,1948-23,1967)

1,954

7

81

86

10.1107/S0365110X54000151

null

has coordinates

Blum, P; Bertaut, F Contribution a l'etude des borures a teneur elevee en bore Acta Crystallographica (1,1948-23,1967) 7 (1954) 81-86

130,149

2020-10-21

18:00:00

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1,009,033

5.64

null

14.68

null

5.39

null

90

null

90

null

90

null

446.3

null

synthetic

3

P c m n

-P 2n 2ac

62

Diiron(III) dicalcium oxide

Srebrodolskite

- Ca2 Fe2 O5 -

- Ca8 Fe8 O20 -

4

0.5

Bertaut, E F; Blum, P; Sagnieres, A

Structure du ferrite bicalcique et de la brownmillerite

Acta Crystallographica (1,1948-23,1967)

1,959

12

149

159

10.1107/S0365110X59000433

null

0.147

null

has coordinates

Bertaut, E F; Blum, P; Sagnieres, A Structure du ferrite bicalcique et de la brownmillerite Acta Crystallographica (1,1948-23,1967) 12 (1959) 149-159

130,149

2020-10-21

18:00:00

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1,009,034

5.672

null

7.136

null

5.377

null

90

null

90

null

90

null

217.6

null

3

P n a 21

P 2c -2n

33

Sodium iron(III) oxide - $-beta

- Fe Na O2 -

- Fe4 Na4 O8 -

4

1

Bertaut, F; Blum, P

Structure d'une nouvelle variete de ferrite de sodium (Fe Na O2)

Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)

1,954

239

429

431

null

has coordinates

Bertaut, F; Blum, P Structure d'une nouvelle variete de ferrite de sodium (Fe Na O2) Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 239 (1954) 429-431

130,149

2020-10-21

18:00:00

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1,009,035

5.46

null

5.46

null

10.64

null

90

null

90

null

90

null

317.2

null

2

I 4/m c m

-I 4 2c

140

Chromium bromide (5/3)

- B3 Cr5 -

- B12 Cr20 -

4

0.125

Bertaut, F; Blum, P

Etude des borures de chrome.

Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)

1,953

236

1055

1056

null

has coordinates

Bertaut, F; Blum, P Etude des borures de chrome. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 236 (1953) 1055-1056

130,149

2020-10-21

18:00:00

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1,009,036

10.66

null

9.2

null

3.01

null

90

null

90

null

90

null

295.2

null

3

P b n m

-P 2c 2ab

62

Calcium divanadium(III) oxide

- Ca O4 V2 -

- Ca4 O16 V8 -

4

0.5

Bertaut, E F; Blum, P; Magnano, G

Structure des vanadite, chromite et ferrite monocalciques

Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)

1,956

79

536

561

null

0.15

null

has coordinates

Bertaut, E F; Blum, P; Magnano, G Structure des vanadite, chromite et ferrite monocalciques Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 79 (1956) 536-561

130,149

2020-10-21

18:00:00

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1,009,037

10.009

0.001

3.4805

0.0006

15.629

0.002

90

null

109.47

0.01

90

null

513.3

null

2

P 1 21/m 1

-P 2yb

11

Niobium selenide (1/3)

- Nb Se3 -

- Nb6 Se18 -

6

1.5

Hodeau, J L; Marezio, M; Roucau, C; Ayroles, R; Meerschaut, A; Rouxel, J; Monceau, P

Charge density waves in Nb Se3 at 145 K: Crystal structures x-ray and electron diffraction studies

Journal of Physics C

1,978

11

4117

4134

10.1088/0022-3719/11/20/009

null

0.046

null

has coordinates

Hodeau, J L; Marezio, M; Roucau, C; Ayroles, R; Meerschaut, A; Rouxel, J; Monceau, P Charge density waves in Nb Se3 at 145 K: Crystal structures x-ray and electron diffraction studies Journal of Physics C 11 (1978) 4117-4134

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009037.cif $ #-------------------------------------------------------------------...

7,015,382

12.1472

0.0005

22.0062

0.001

16.9073

0.0007

90

null

96.278

0.001

90

null

4,492.4

0.3

180

2

180

2

null

6

P 1 21/n 1

-P 2yn

14

- C41.7 H47.55 Cl1.15 Mn2 N6.85 O9.6 -

- C166.8 H190.2 Cl4.6 Mn8 N27.4 O38.4 -

4

1

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.

Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

13

3336

3345

10.1039/c0dt01552k

0.71073

MoKα

0.1003

0.0586

null

0.1378

0.1564

null

1.053

null

has coordinates,has disorder

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J. Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3336-3...

176,453

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015382.cif $ #-------------------------------------------------------------------...

1,009,038

5.889

null

5.889

null

23.18199

null

90

null

90

null

120

null

696.2

null

3

P 63/m m c

-P 6c 2c

194

Barium dodecairon(III) oxide

- Ba Fe12 O19 -

- Ba Fe12 O3.17 -

- Ba2 Fe24 O6.34 -

2

0.083333

Bertaut, F; Deschamps, A; Pauthenet, R

Etude de la substitution de Fe par Al, Ga et Cr dans l'hexaferrite de baryum, Ba O, (Fe2 O3)6

Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)

1,958

246

2594

2597

null

has coordinates

Bertaut, F; Deschamps, A; Pauthenet, R Etude de la substitution de Fe par Al, Ga et Cr dans l'hexaferrite de baryum, Ba O, (Fe2 O3)6 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 246 (1958) 2594-2597

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009038.cif $ #-------------------------------------------------------------------...

1,009,039

8.984

0.002

7.918

0.002

10.139

0.008

90

null

90

null

90

null

721.2

null

4

P c a 21

P 2c -2ac

29

Cobalt hydrogenphosphate(III) hydrate

- Co H3 O4 P -

- Co H5 O4 P -

- Co8 H40 O32 P8 -

8

2

Sapina, F; Gomez-Romero, P; Marcos, M D; Amoros, P; Ibanez, R; Beltran, D; Navarro, R; Rillo, C; Lera, F

Two new cobalt(II) compounds exhibiting weak ferromagnetism: magnetic susceptibility study of Co H P O3 . H2 O and Co Cl (H2 P O2) . (H2 O) and crystal structure of Co H P O3 . H2 O

European Journal of Solid State Inorganic Chemistry

1,989

26

603

617

null

0.036

null

has coordinates

Sapina, F; Gomez-Romero, P; Marcos, M D; Amoros, P; Ibanez, R; Beltran, D; Navarro, R; Rillo, C; Lera, F Two new cobalt(II) compounds exhibiting weak ferromagnetism: magnetic susceptibility study of Co H P O3 . H2 O and Co Cl (H2 P O2) . (H2 O) and crystal structure of Co H P O3 . H2 O European Journal of Solid State I...

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009039.cif $ #-------------------------------------------------------------------...

1,009,040

3.913

null

3.913

null

3.913

null

90

null

90

null

90

null

59.9

null

3

P m -3 m

-P 4 2 3

221

Iridium manganese nitride (1/3/1)

- Ir Mn3 N -

1

0.020833

Nardin, M; Lorthioir, C; Barberon, M M; Madar, R; Fruchart, E; Fruchart, R

Etude de cinq nouveaus nitrures M Cr3 N de type perovskite

Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)

1,972

274

2168

2171

null

has coordinates

Nardin, M; Lorthioir, C; Barberon, M M; Madar, R; Fruchart, E; Fruchart, R Etude de cinq nouveaus nitrures M Cr3 N de type perovskite Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 274 (1972) 2168-2171

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009040.cif $ #-------------------------------------------------------------------...

1,009,041

16.27899

0.003

16.27899

null

16.27899

null

90

null

90

null

90

null

4,314

null

3

F d -3 m :1

F 4d 2 3 -1d

227

Potassium tin antimonide (8/1/4)

- K8 Sb4 Sn -

- K64 Sb32 Sn8 -

8

0.041667

Eisenmann, B; Klein, J

Na5 Sn Sb3 and K8 Sn Sb4, zwei neue Zintlphasennn mit tetraedrischen Sn Sb4-Baueinheiten

Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)

1,988

43

1156

1160

null

0.054

null

has coordinates

Eisenmann, B; Klein, J Na5 Sn Sb3 and K8 Sn Sb4, zwei neue Zintlphasennn mit tetraedrischen Sn Sb4-Baueinheiten Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 43 (1988) 1156-1160

176,729

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009041.cif $ #-------------------------------------------------------------------...

7,015,381

9.5344

0.0004

23.6857

0.001

17.8475

0.0007

90

null

94.634

0.001

90

null

4,017.3

0.3

180

2

180

2

null

6

P 1 21/c 1

-P 2ybc

14

- C38 H44 Cl Mn2 N6 O10.5 -

- C152 H176 Cl4 Mn8 N24 O42 -

4

1

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.

Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

13

3336

3345

10.1039/c0dt01552k

0.71073

MoKα

0.0893

0.053

null

0.1404

0.1603

null

1.062

null

has coordinates

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J. Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3336-3...

301,847

2025-08-21

11:39:34

#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015381.cif $ #-------------------------------------------------------------------...

1,009,042

6.105

null

6.105

null

6.105

null

90

null

90

null

90

null

227.5

null

3

F m -3 m

-F 4 2 3

225

Sodium lanthanum selenide

- La Na Se2 -

- La2 Na2 Se4 -

2

0.010417

Ballestracci, R; Bertaut, E-F

Etude cristallographique de nouvaux seleniures des terres rares et de sodium

Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)

1,965

88

136

138

null

has coordinates

Ballestracci, R; Bertaut, E-F Etude cristallographique de nouvaux seleniures des terres rares et de sodium Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 88 (1965) 136-138

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009042.cif $ #-------------------------------------------------------------------...

1,009,043

5.968

null

5.968

null

11.74

null

90

null

90

null

120

null

362.1

null

synthetic

2

P -6 2 c

P -6c -2c

190

Iron sulfide - LT

Troilite 2H

- Fe S -

- Fe12 S12 -

12

1

Bertaut, F

La structure de sulfure de fer

Journal de Physique et du Radium

1,954

15

775

null

0.195

null

has coordinates

Bertaut, F La structure de sulfure de fer Journal de Physique et du Radium 15 (1954) 775-775

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009043.cif $ #-------------------------------------------------------------------...

1,009,044

3.886

null

3.886

null

3.886

null

90

null

90

null

90

null

58.7

null

3

P m -3 m

-P 4 2 3

221

Manganese nickel nitride (3/1/1)

- Mn3 N Ni -

1

0.020833

Fruchart, D; Bertaut, E F; Madar, R; Lorthioir, G; Fruchart, R

Structure magnetique et rotation de spin de Mn3 Ni N

Solid State Communications

1,971

9

1793

1797

10.1016/0038-1098(71)90092-5

null

0.06

null

has coordinates

Fruchart, D; Bertaut, E F; Madar, R; Lorthioir, G; Fruchart, R Structure magnetique et rotation de spin de Mn3 Ni N Solid State Communications 9 (1971) 1793-1797

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009044.cif $ #-------------------------------------------------------------------...

1,009,045

3.979

null

3.979

null

3.979

null

90

null

90

null

90

null

63

null

3

P m -3 m

-P 4 2 3

221

Manganese palladium nitride (3/1/1)

- Mn3 N Pd -

1

0.020833

Nardin, M; Lorthioir, G; Barberon, M M; Madar, R; Fruchart, E; Fruchart, R

Etude de cinq nouveaux nitrures M Cr3 N de type perovskite

Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)

1,972

274

2168

2171

null

0.06

null

has coordinates

Nardin, M; Lorthioir, G; Barberon, M M; Madar, R; Fruchart, E; Fruchart, R Etude de cinq nouveaux nitrures M Cr3 N de type perovskite Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 274 (1972) 2168-2171

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009045.cif $ #-------------------------------------------------------------------...

1,009,046

3.972

null

3.972

null

3.972

null

90

null

90

null

90

null

62.7

null

3

P m -3 m

-P 4 2 3

221

Manganese platinum nitride (3/1/1)

- Mn3 N Pt -

1

0.020833

Nardin, M; Lorthioir, G; Barberon, M M; Madar, R; Fruchart, E; Fruchart, R

Etude de cinq nouveaux nitrures M Cr3 N de type perovskite

Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)

1,972

274

2168

2171

null

0.06

null

has coordinates

Nardin, M; Lorthioir, G; Barberon, M M; Madar, R; Fruchart, E; Fruchart, R Etude de cinq nouveaux nitrures M Cr3 N de type perovskite Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 274 (1972) 2168-2171

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009046.cif $ #-------------------------------------------------------------------...

7,015,380

9.8414

0.0014

25.087

0.004

16.78

0.002

90

null

100.605

0.003

90

null

4,072.1

1

180

2

180

2

null

6

P 1 21/n 1

-P 2yn

14

- C40 H44 Cl Mn2 N7 O9 -

- C160 H176 Cl4 Mn8 N28 O36 -

4

1

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.

Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

13

3336

3345

10.1039/c0dt01552k

0.71073

MoKα

0.0944

0.046

null

0.0994

0.1158

null

1.012

null

has coordinates

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J. Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3336-3...

301,847

2025-08-21

11:39:34

#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015380.cif $ #-------------------------------------------------------------------...

1,009,047

5.496

0.001

5.496

null

4.5

0.001

90

null

90

null

120

null

117.7

null

3

P 63/m m c

-P 6c 2c

194

Manganese platinum nitride (3/1/0.25)

- Mn3 N0.25 Pt -

- Mn6 N0.5 Pt2 -

2

0.083333

Kren, E; Barberon, M M; Fruchart, R

Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25

International Journal of Magnetism

1,971

1

341

344

null

has coordinates

Kren, E; Barberon, M M; Fruchart, R Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25 International Journal of Magnetism 1 (1971) 341-344

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009047.cif $ #-------------------------------------------------------------------...

1,009,048

3.938

null

3.938

null

3.938

null

90

null

90

null

90

null

61.1

null

3

P m -3 m

-P 4 2 3

221

Manganese rhodium nitride (3/1/1)

- Mn3 N Rh -

1

0.020833

Nardin, M; Lorthioir, G; Barberon, M M; Madar, R; Fruchart, E; Fruchart, R

Etude de cinq nouveaux nitrures M Cr3 N de type perovskite

Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)

1,972

274

2168

2171

null

has coordinates

Nardin, M; Lorthioir, G; Barberon, M M; Madar, R; Fruchart, E; Fruchart, R Etude de cinq nouveaux nitrures M Cr3 N de type perovskite Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 274 (1972) 2168-2171

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009048.cif $ #-------------------------------------------------------------------...

1,009,049

5.45

0.01

5.45

null

4.45

0.01

90

null

90

null

120

null

114.5

null

3

P 63/m m c

-P 6c 2c

194

Manganese rhodium nitride (3/1/0.2)

- Mn3 N0.2 Rh -

- Mn6 N0.4 Rh2 -

2

0.083333

Kren, E; Barberon, M M; Fruchart, R

Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25

International Journal of Magnetism

1,971

1

341

344

null

has coordinates

Kren, E; Barberon, M M; Fruchart, R Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25 International Journal of Magnetism 1 (1971) 341-344

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009049.cif $ #-------------------------------------------------------------------...

1,009,050

4.06

null

4.06

null

4.06

null

90

null

90

null

90

null

66.9

null

3

P m -3 m

-P 4 2 3

221

Manganese tin nitride (3/1/1)

- Mn3 N Sn -

1

0.020833

Nardin, M; Lorthioir, G; Barberon, M M; Madar, R; Fruchart, E; Fruchart, R

Etude de cinq nouveaux nitrures M Cr3 N de type perovskite

Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)

1,972

274

2168

2171

null

has coordinates

Nardin, M; Lorthioir, G; Barberon, M M; Madar, R; Fruchart, E; Fruchart, R Etude de cinq nouveaux nitrures M Cr3 N de type perovskite Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 274 (1972) 2168-2171

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009050.cif $ #-------------------------------------------------------------------...

1,009,051

3.902

null

3.902

null

3.902

null

90

null

90

null

90

null

59.4

null

3

P m -3 m

-P 4 2 3

221

Manganese zinc nitride (3/1/1)

- Mn3 N Zn -

1

0.020833

Fruchart, D; Bertaut, E F; Madar, R; Fruchart, R

Diffraction neutronique de Mn3 Zn N

Journal de Physique (Paris), Colloque.

1,971

32

1

876

877

null

has coordinates

Fruchart, D; Bertaut, E F; Madar, R; Fruchart, R Diffraction neutronique de Mn3 Zn N Journal de Physique (Paris), Colloque. 32(1) (1971) 876-877

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009051.cif $ #-------------------------------------------------------------------...

1,009,052

4.268

null

4.268

null

4.268

null

90

null

90

null

90

null

77.7

null

2

P m -3 m

-P 4 2 3

221

Barium boride (1/6)

- B6 Ba -

1

0.020833

Bertaut, F; Blum, P

Etude de hexaborures et de la substition alcaline

Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)

1,952

234

2621

2623

null

has coordinates

Bertaut, F; Blum, P Etude de hexaborures et de la substition alcaline Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 234 (1952) 2621-2623

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009052.cif $ #-------------------------------------------------------------------...

7,015,379

16.2647

0.0013

19.8095

0.0016

18.7038

0.0014

90

null

106.037

0.003

90

null

5,791.8

0.8

180

2

180

2

null

7

P 1 21/n 1

-P 2yn

14

- C55 H59 Cl Co2 N6 O19 S2 -

- C220 H236 Cl4 Co8 N24 O76 S8 -

4

1

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.

Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

13

3336

3345

10.1039/c0dt01552k

0.71073

MoKα

0.0731

0.0373

null

0.0799

0.0896

null

1.023

null

has coordinates

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J. Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3336-3...

301,847

2025-08-21

11:39:34

#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015379.cif $ #-------------------------------------------------------------------...

1,009,053

4.112

null

4.112

null

4.112

null

90

null

90

null

90

null

69.5

null

2

P m -3 m

-P 4 2 3

221

Gadolinium boride (1/6)

- B6 Gd -

1

0.020833

Bertaut, F; Blum, P

Etude de hexaborures et de la substition alcaline

Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)

1,952

234

2621

2623

null

has coordinates

Bertaut, F; Blum, P Etude de hexaborures et de la substition alcaline Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 234 (1952) 2621-2623

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009053.cif $ #-------------------------------------------------------------------...

1,009,054

4.113

null

4.113

null

4.113

null

90

null

90

null

90

null

69.6

null

2

P m -3 m

-P 4 2 3

221

Yttrium boride (1/6)

- B6 Y -

1

0.020833

Bertaut, F; Blum, P

Etude de hexaborures et de la substition alcaline

Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)

1,952

234

2621

2623

null

has coordinates

Bertaut, F; Blum, P Etude de hexaborures et de la substition alcaline Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 234 (1952) 2621-2623

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009054.cif $ #-------------------------------------------------------------------...

1,009,055

5.185

null

5.185

null

4.316

null

90

null

90

null

90

null

116

null

2

I 4/m c m

-I 4 2c

140

Chromium bromide (2/1)

- B Cr2 -

- B4 Cr8 -

4

0.125

Bertaut, F; Blum, P

Etude des borures de chrome.

Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)

1,953

236

1055

1056

null

has coordinates

Bertaut, F; Blum, P Etude des borures de chrome. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 236 (1953) 1055-1056

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009055.cif $ #-------------------------------------------------------------------...

1,009,056

5.745

0.001

5.745

null

5.622

0.001

90

null

90

null

120

null

160.7

null

2

P 63 m c

P 6c -2c

186

Molybdenum nitride (1/1) - $-delta

- Mo N -

- Mo8 N8 -

8

0.666667

Bezinge, A; Yvon, K; Muller, J; Lengauer, W; Ettmayer, P

High-pressure high temperature experiments on delta-Mo N

Solid State Communications

1,987

63

141

145

10.1016/0038-1098(87)91183-5

null

0.06

null

has coordinates

Bezinge, A; Yvon, K; Muller, J; Lengauer, W; Ettmayer, P High-pressure high temperature experiments on delta-Mo N Solid State Communications 63 (1987) 141-145

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009056.cif $ #-------------------------------------------------------------------...

1,009,057

7.17

null

5.56

null

5.32

null

90

null

90.1

null

90

null

212.1

null

4

P 1 n 1

P -2yac

7

Disodium zinc germanate

- Ge Na2 O4 Zn -

- Ge2 Na4 O8 Zn2 -

2

1

Joubert-Bettan, C A; Lachenal, R; Bertaut, E F; Parthe, E

The crystal structures of Na2 Zn Si O4, Na2 Zn Ge O4 and Na2 Mg Ge O4

Journal of Solid State Chemistry

1,969

1

5

10.1016/0022-4596(69)90001-2

null

0.15

null

has coordinates

Joubert-Bettan, C A; Lachenal, R; Bertaut, E F; Parthe, E The crystal structures of Na2 Zn Si O4, Na2 Zn Ge O4 and Na2 Mg Ge O4 Journal of Solid State Chemistry 1 (1969) 1-5

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009057.cif $ #-------------------------------------------------------------------...

1,009,058

3.05

null

3.05

null

3.113

null

90

null

90

null

120

null

25.1

null

2

P 6/m m m

-P 6 2

191

Molybdenum boride

- B2 Mo -

1

0.041667

Bertaut, E. F.; Blum, P.

Existence et structure d'une nouvelle phase dans le systeme Mo-B

Acta Crystallographica

1,951

4

1

72

10.1107/s0365110x51000180

null

has coordinates

Bertaut, E. F.; Blum, P. Existence et structure d'une nouvelle phase dans le systeme Mo-B Acta Crystallographica 4(1) (1951) 72-72

182,023

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-04-12 20:30:58 +0300 (Tue, 12 Apr 2016) $ #$Revision: 182023 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009058.cif $ #-------------------------------------------------------------------...

1,009,059

18.59399

0.006

9.181

0.004

12.493

0.005

90

null

98.3

0.1

90

null

2,110.4

null

3

P 1 21/c 1

-P 2ybc

14

Sodium tin antimonide (5/1/3)

- Na5 Sb3 Sn -

- Na40 Sb24 Sn8 -

8

2

Eisenmann, B; Klein, J

Na5 Sn Sb3 and K8 Sn Sb4, zwei neue Zintlphasen mit tetraedrischen SnSb4-Baueinheiten

Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)

1,988

43

1156

1160

null

0.047

null

has coordinates

Eisenmann, B; Klein, J Na5 Sn Sb3 and K8 Sn Sb4, zwei neue Zintlphasen mit tetraedrischen SnSb4-Baueinheiten Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 43 (1988) 1156-1160

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009059.cif $ #-------------------------------------------------------------------...

7,015,378

9.3915

0.0003

13.2868

0.0004

18.5255

0.0008

110.606

0.002

94.929

0.003

97.08

0.002

2,126.37

0.14

180

2

180

2

null

7

P -1

-P 1

2

- C37 H37 Cl Co2 N8 O13 S2 -

- C74 H74 Cl2 Co4 N16 O26 S4 -

2

1

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.

Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

13

3336

3345

10.1039/c0dt01552k

0.71073

MoKα

0.0583

0.0388

null

0.1032

0.1086

null

1.069

null

has coordinates,has disorder

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J. Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3336-3...

179,857

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:40:45 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179857 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015378.cif $ #-------------------------------------------------------------------...

1,009,060

14.816

null

14.816

null

14.816

null

90

null

90

null

90

null

3,252.3

null

3

F d -3 m :2

-F 4vw 2vw 3

227

Octasodium tetraantimonostannate

- Na8 Sb4 Sn -

- Na64 Sb32 Sn8 -

8

0.041667

Eisenmann, B; Klein, J

Eine Zintl-Phase mit isolierten Sn Sb4 (8-)-Anionen: Na8 Sn Sb4

Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)

1,988

43

1156

1160

null

0.044

null

has coordinates

Eisenmann, B; Klein, J Eine Zintl-Phase mit isolierten Sn Sb4 (8-)-Anionen: Na8 Sn Sb4 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 43 (1988) 1156-1160

301,771

2025-08-18

12:22:45

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:21:50 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301771 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009060.cif $ #-------------------------------------------------------------------...

1,009,061

9.984

0.002

3.4831

0.0008

15.591

0.003

90

null

109.47

0.02

90

null

511.2

null

2

P 1 21/m 1

-P 2yb

11

Niobium(VI) selenide

- Nb Se3 -

- Nb6 Se18 -

6

1.5

Hodeau, J L; Marezio, M; Roucau, C; Ayroles, R; Meerschaut, A; Rouxel, J; Monceau, P

Charge density waves in Nb Se3 at 145 K: Crystal structures X-Ray and electron diffraction studies

Journal of Physics C

1,978

11

4117

4134

10.1088/0022-3719/11/20/009

null

0.058

null

has coordinates

Hodeau, J L; Marezio, M; Roucau, C; Ayroles, R; Meerschaut, A; Rouxel, J; Monceau, P Charge density waves in Nb Se3 at 145 K: Crystal structures X-Ray and electron diffraction studies Journal of Physics C 11 (1978) 4117-4134

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009061.cif $ #-------------------------------------------------------------------...

1,009,062

8.2232

0.0004

8.2232

0.0004

8.2232

0.0004

90

null

90

null

90

null

556.1

null

3

F d -3 m :2

-F 4vw 2vw 3

227

Lithium manganese oxide (1.12/1.88/4)

- Li1.12 Mn1.88 O4 -

- Li8.96 Mn15.04 O32 -

8

0.041667

Strobel, P; Le Cras, F; Seguin, L; Anne, M; Tarascon, J M

Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron diffraction study

Journal of Solid State Chemistry

1,998

135

132

139

10.1006/jssc.1997.7611

null

0.0193

null

has coordinates

Strobel, P; Le Cras, F; Seguin, L; Anne, M; Tarascon, J M Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron diffraction study Journal of Solid State Chemistry 135 (1998) 132-139

176,729

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009062.cif $ #-------------------------------------------------------------------...

1,009,063

8.2449

0.0002

8.2449

0.0002

8.2449

0.0002

90

null

90

null

90

null

560.5

null

3

F d -3 m :2

-F 4vw 2vw 3

227

Lithium manganese oxide (1/1.98/4)

- Li1.08 Mn1.98 O4 -

- Li Mn1.98 O4 -

- Li8 Mn15.84 O32 -

8

0.041667

Strobel, P; Le Cras, F; Seguin, L; Anne, M; Tarascon, J M

Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron diffraction study

Journal of Solid State Chemistry

1,998

135

132

139

10.1006/jssc.1997.7611

null

0.0146

null

has coordinates

Strobel, P; Le Cras, F; Seguin, L; Anne, M; Tarascon, J M Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron diffraction study Journal of Solid State Chemistry 135 (1998) 132-139

176,729

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009063.cif $ #-------------------------------------------------------------------...

1,009,064

5.7396

0.0002

5.7396

0.0002

8.6709

0.0006

90

null

90

null

90

null

285.6

null

3

I 41/a m d :2

-I 4bd 2

141

Lithium manganese oxide (0.89/2/3.84)

- Li0.89 Mn2 O3.84 -

- Li3.56 Mn8 O15.36 -

4

0.125

Strobel, P; Le Cras, F; Seguin, L; Anne, M; Tarascon, J M

Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron diffraction study

Journal of Solid State Chemistry

1,998

135

132

139

10.1006/jssc.1997.7611

null

0.0189

null

has coordinates

Strobel, P; Le Cras, F; Seguin, L; Anne, M; Tarascon, J M Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron diffraction study Journal of Solid State Chemistry 135 (1998) 132-139

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009064.cif $ #-------------------------------------------------------------------...

7,015,377

16.1552

0.0006

18.7603

0.0007

18.8822

0.0007

90

null

104.151

0.002

90

null

5,549.1

0.4

180

2

180

2

null

7

P 1 21/n 1

-P 2yn

14

- C53 H53 Cl Mn2 N8 O17 S2 -

- C212 H212 Cl4 Mn8 N32 O68 S8 -

4

1

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.

Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

13

3336

3345

10.1039/c0dt01552k

0.71073

MoKα

0.1221

0.0571

null

0.1262

0.15

null

1.014

null

has coordinates

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J. Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3336-3...

301,847

2025-08-21

11:39:34

#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015377.cif $ #-------------------------------------------------------------------...

1,009,065

8.1491

0.0004

8.1491

0.0004

8.1491

0.0004

90

null

90

null

90

null

541.2

null

3

F d -3 m :2

-F 4vw 2vw 3

227

Lithium manganese oxide (1.2/1.8/4.0)

- Li1.198 Mn1.802 O3.972 -

- Li9.584 Mn14.416 O31.776 -

8

0.041667

Strobel, P; Le Cras, F; Seguin, L; Anne, M; Tarascon, J M

Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron diffraction study

Journal of Solid State Chemistry

1,998

135

132

139

10.1006/jssc.1997.7611

null

0.0133

null

has coordinates

Strobel, P; Le Cras, F; Seguin, L; Anne, M; Tarascon, J M Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron diffraction study Journal of Solid State Chemistry 135 (1998) 132-139

176,729

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009065.cif $ #-------------------------------------------------------------------...

1,009,066

8.1634

0.0005

8.1634

0.0005

8.1634

0.0005

90

null

90

null

90

null

544

null

3

F d -3 m :2

-F 4vw 2vw 3

227

Lithium manganese oxide (1.29/1.72/3.73)

- Li1.288 Mn1.716 O3.732 -

- Li10.304 Mn13.728 O29.856 -

8

0.041667

Strobel, P; Le Cras, F; Seguin, L; Anne, M; Tarascon, J M

Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron diffraction study

Journal of Solid State Chemistry

1,998

135

132

139

10.1006/jssc.1997.7611

null

0.0128

null

has coordinates

Strobel, P; Le Cras, F; Seguin, L; Anne, M; Tarascon, J M Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron diffraction study Journal of Solid State Chemistry 135 (1998) 132-139

176,729

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009066.cif $ #-------------------------------------------------------------------...

1,009,067

6.8943

0.0004

7.7529

0.0008

14.7644

0.0012

90

null

90

null

90

null

789.2

null

4

P n m a

-P 2ac 2n

62

Trisamarium niobium triselenate

- Nb O4 Se3 Sm3 -

- Nb4 O16 Se12 Sm12 -

4

0.5

Meerschaut, A; Boyer, C; Lafond, A; Cario, L; Rouxel, J

Synthesis and structure determination of Sm3 Nb Se3 O4

Journal of Solid State Chemistry

1,998

136

122

126

null

0.035

null

has coordinates

Meerschaut, A; Boyer, C; Lafond, A; Cario, L; Rouxel, J Synthesis and structure determination of Sm3 Nb Se3 O4 Journal of Solid State Chemistry 136 (1998) 122-126

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009067.cif $ #-------------------------------------------------------------------...

1,009,068

3.624

0.005

3.624

0.005

8.36

0.008

90

null

90

null

90

null

109.8

null

3

P 4/n m m :1

P 4ab 2ab -1ab

129

Zirconium silicide selenide (2/1.9/1.99)

- Se1.99 Si1.9 Zr2 -

1

0.0625

Jeannin, Y; Mosset, A

Non-stoechiometrie du silicoseleniure de zirconium

Journal of the Less-Common Metals

1,971

27

237

242

10.1016/0022-5088(72)90033-1

null

0.046

null

has coordinates

Jeannin, Y; Mosset, A Non-stoechiometrie du silicoseleniure de zirconium Journal of the Less-Common Metals 27 (1971) 237-242

176,729

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009068.cif $ #-------------------------------------------------------------------...

1,009,069

5.437

0.002

5.437

0.002

4.332

0.002

90

null

90

null

120

null

110.9

null

4

P 6/m m m

-P 6 2

191

Lanthanum nickel manganese deuteride (0.98/3.89/1.13/5.97)

- D5.97 La0.98 Mn1.13 Ni3.89 -

- D5.971 La0.979 Mn1.13 Ni3.891 -

1

0.041667

Achard, J C; Givord, F; Percheron-Guegan, A; Soubeyroux, J L

Neutron study of Al or Mn substituted La Ni5 hydrogen sponges

Journal de Physique (Paris)

1,979

40

218

220

null

0.081

null

has coordinates

Achard, J C; Givord, F; Percheron-Guegan, A; Soubeyroux, J L Neutron study of Al or Mn substituted La Ni5 hydrogen sponges Journal de Physique (Paris) 40 (1979) 218-220

176,435

2020-10-21

18:00:00

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1,009,070

5.31

0.002

5.31

0.002

4.249

0.002

90

null

90

null

120

null

103.8

null

4

P 6/m m m

-P 6 2

191

Lanthanum nickel aluminium deuteride (0.98/3.96/1.06/5.11)

- Al1.06 D5.11 La0.98 Ni3.96 -

- Al1.059 D5.103 La0.976 Ni3.965 -

1

0.041667

Achard, J C; Givord, F; Percheron-Guegan, A; Soubeyroux, J L

Neutron study of Al or Mn substituted La Ni5 hydrogen sponges

Journal de Physique (Paris)

1,979

40

218

220

null

0.025

null

has coordinates

Achard, J C; Givord, F; Percheron-Guegan, A; Soubeyroux, J L Neutron study of Al or Mn substituted La Ni5 hydrogen sponges Journal de Physique (Paris) 40 (1979) 218-220

176,435

2020-10-21

18:00:00

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1,009,071

5.819

null

3.691

null

6.853

null

90

null

90

null

90

null

147.2

null

3

P n m a

-P 2ac 2n

62

Manganese copper silicide (1/1/1)

- Co Mn Si -

- Co4 Mn4 Si4 -

4

0.5

Niziol, S; Binczycka, H; Szytula, A; Todorovic, J; Fruchart, R; Senateur, J P; Fruchart, D

Structure magnetique des Mn Co Si

Physica Status Solidi, Sectio A: Applied Research

1,978

45

591

597

10.1002/pssa.2210450231

null

has coordinates

Niziol, S; Binczycka, H; Szytula, A; Todorovic, J; Fruchart, R; Senateur, J P; Fruchart, D Structure magnetique des Mn Co Si Physica Status Solidi, Sectio A: Applied Research 45 (1978) 591-597

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009071.cif $ #-------------------------------------------------------------------...

7,015,376

10.5539

0.0006

12.7614

0.0008

17.0757

0.001

100.751

0.002

94.365

0.002

94.139

0.003

2,244.1

0.2

180

2

180

2

null

7

P -1

-P 1

2

- C38 H38.5 Cl Mn2 N8.5 O13 S2 -

- C76 H77 Cl2 Mn4 N17 O26 S4 -

2

1

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.

Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

13

3336

3345

10.1039/c0dt01552k

0.71073

MoKα

0.0612

0.0426

null

0.114

0.1234

null

1.036

null

has coordinates,has disorder

Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J. Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3336-3...

176,453

2020-10-21

18:00:00

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1,009,072

5.8571

null

3.6881

null

6.8556

null

90

null

90

null

90

null

148.1

null

3

P n m a

-P 2ac 2n

62

Manganese copper silicide (1/1/1)

- Co Mn Si -

- Co4 Mn4 Si4 -

4

0.5

Niziol, S; Binczycka, H; Szytula, A; Todorovic, J; Fruchart, R; Senateur, J P; Fruchart, D

Structure magnetique des Mn Co Si

Physica Status Solidi, Sectio A: Applied Research

1,978

45

591

597

10.1002/pssa.2210450231

null

has coordinates

Niziol, S; Binczycka, H; Szytula, A; Todorovic, J; Fruchart, R; Senateur, J P; Fruchart, D Structure magnetique des Mn Co Si Physica Status Solidi, Sectio A: Applied Research 45 (1978) 591-597

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009072.cif $ #-------------------------------------------------------------------...

1,009,073

4.937

null

4.432

null

2.994

null

90

null

90

null

90

null

65.5

null

3

P 21 n m

P -2 2ac

31

Iron oxide hydroxide - HP

- Fe H O2 -

- Fe H2 O2 -

- Fe2 H4 O4 -

2

0.5

Pernet, M; Joubert, J C; Berthet-Colominas, C

Etude par diffraction neutronique de la forme haute pression de Fe O O H

Solid State Communications

1,975

17

1505

1510

10.1016/0038-1098(75)90983-7

null

0.05

null

has coordinates

Pernet, M; Joubert, J C; Berthet-Colominas, C Etude par diffraction neutronique de la forme haute pression de Fe O O H Solid State Communications 17 (1975) 1505-1510

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009073.cif $ #-------------------------------------------------------------------...

1,009,074

3.898

null

3.898

null

3.898

null

90

null

90

null

90

null

59.2

null

3

P m -3 m

-P 4 2 3

221

Manganese gallium nitride (3/1/1)

- Ga Mn3 N -

1

0.020833

Bertaut, E F; Fruchart, D; Bouchaud, J P; Fruchart, R

Diffraction neutronique de Mn3 Ga N

Solid State Communications

1,968

6

251

256

10.1016/0038-1098(68)90098-7

null

has coordinates

Bertaut, E F; Fruchart, D; Bouchaud, J P; Fruchart, R Diffraction neutronique de Mn3 Ga N Solid State Communications 6 (1968) 251-256

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009074.cif $ #-------------------------------------------------------------------...

1,009,075

3.819

0.001

3.819

0.001

22.96399

0.005

90

null

90

null

90

null

334.9

null

4

I 4/m m m

-I 4 2

139

Disamarium dititanium pentaoxide disulfide

- O5 S2 Sm2 Ti2 -

- O10 S4 Sm4 Ti4 -

2

0.0625

Boyer, C; Deudon, C; Meerschaut, A

Synthesis and structure determination of the new Sm2 Ti2 O5 S2 compound

C. R. Acad. Sci. Paris, T. 1, Serie II

1,999

2

93

99

null

0.018

null

has coordinates

Boyer, C; Deudon, C; Meerschaut, A Synthesis and structure determination of the new Sm2 Ti2 O5 S2 compound C. R. Acad. Sci. Paris, T. 1, Serie II 2 (1999) 93-99

130,149

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/90/1009075.cif $ #-------------------------------------------------------------------...

1,010,000

3.029

0.005

3.029

0.005

5.314

0.005

90

null

90

null

90

null

48.8

null

2

null

Palladium oxide

- O Pd -

2

null

Lunde, G

Ueber Existenz und Darstellung einiger Oxyde der Platinmetalle

Zeitschrift fuer Anorganische und Allgemeine Chemie

1,927

163

345

354

10.1002/zaac.19271630130

null

Lunde, G Ueber Existenz und Darstellung einiger Oxyde der Platinmetalle Zeitschrift fuer Anorganische und Allgemeine Chemie 163 (1927) 345-354

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/1/01/00/1010000.cif $ #-------------------------------------------------------------------...

1,010,001

5.46

0.01

5.46

0.01

12.89

0.02

90

null

90

null

90

null

384.3

null

4

I 41/a :1

I 4bw -1bw

88

Potassium fluorochromate

- Cr F K O3 -

- Cr4 F4 K4 O12 -

4

0.25

Ketelaar, J A A; Wegerif, E

Die Krystallstruktur des Kaliumfluorochromats

Recueil des Travaux Chimiques des Pays-Bas et de la Belgique

1,938

57

1269

1275

null

has coordinates

Ketelaar, J A A; Wegerif, E Die Krystallstruktur des Kaliumfluorochromats Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 57 (1938) 1269-1275

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/1/01/00/1010001.cif $ #-------------------------------------------------------------------...

7,015,375

9.7453

0.0002

9.8887

0.0002

21.9565

0.0003

102.05

0.001

96.64

0.001

101.361

0.002

2,001.45

0.07

150

2

150

2

null

5

P -1

-P 1

2

- C50 H46 O2 P2 Ru -

- C100 H92 O4 P4 Ru2 -

2

1

Yang, Hsuan; Chung, Chia-Pei; Lin, Ying-Chih; Liu, Yi-Hong

Facile oxygenation reactions of ruthenium acetylide complex containing substituted olefinic group.

Dalton transactions (Cambridge, England : 2003)

2,011

40

14

3703

3710

10.1039/c0dt01551b

0.71073

MoKα

0.0282

0.0228

null

0.0567

0.0585

null

0.944

null

has coordinates

Yang, Hsuan; Chung, Chia-Pei; Lin, Ying-Chih; Liu, Yi-Hong Facile oxygenation reactions of ruthenium acetylide complex containing substituted olefinic group. Dalton transactions (Cambridge, England : 2003) 40(14) (2011) 3703-3710

179,857

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:40:45 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179857 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015375.cif $ #-------------------------------------------------------------------...

1,010,002

9

null

14.9

null

3.96

null

90

null

90

null

90

null

531

null

4

P n a m

-P 2c 2n

62

Ammonium cadmium chloride

- Cd Cl3 H4 N -

- Cd Cl3 H2 N -

- Cd4 Cl12 H8 N4 -

4

0.5

MacGillavry, C H; Nijveld, H; Dierdorp, S; Karsten, J

Die Krystallstruktur von N H~4~ Cd Cl~3~ und Rb Cd Cl~3~

Recueil des Travaux Chimiques des Pays-Bas et de la Belgique

1,939

58

193

200

null

has coordinates

MacGillavry, C H; Nijveld, H; Dierdorp, S; Karsten, J Die Krystallstruktur von N H~4~ Cd Cl~3~ und Rb Cd Cl~3~ Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 58 (1939) 193-200

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/1/01/00/1010002.cif $ #-------------------------------------------------------------------...

1,010,003

12.23

null

12.23

null

12.23

null

19.22

null

19.22

null

19.22

null

173.3

null

2

R -3 m :R

-P 3* 2

166

Arsenic tin (3/4)

- As3 Sn4 -

1

0.083333

Haegg, G; Hybinette, A G

X-ray studies on the systems tin-antimony and tin-arsenic

Philosophical Magazine, Serie 7(1926-46,1955)

1,935

20

913

929

null

has coordinates

Haegg, G; Hybinette, A G X-ray studies on the systems tin-antimony and tin-arsenic Philosophical Magazine, Serie 7(1926-46,1955) 20 (1935) 913-929

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/1/01/00/1010003.cif $ #-------------------------------------------------------------------...

1,010,004

5.83

null

8.14

null

7.48

null

90

null

67.07

null

90

null

326.9

null

2

P 1 21/c 1

-P 2ybc

14

Bismuth oxide - α

Bismite

- Bi2 O3 -

- Bi8 O12 -

4

1

Sillén, Lars Gunnar

Die Kristallstruktur des monoklinen α-Bi~2~O~3~

Naturwissenschaften

1,940

28

13

206

207

10.1007/BF01498757

null

has coordinates

Sillén, Lars Gunnar Die Kristallstruktur des monoklinen α-Bi~2~O~3~ Naturwissenschaften 28(13) (1940) 206-207

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/1/01/00/1010004.cif $ #-------------------------------------------------------------------...

1,010,005

7.58

null

7.58

null

7.95

null

90

null

90

null

90

null

456.8

null

5

P 42/m n m

-P 4n 2n

136

Diammonium copper tetrachloride dihydrate

- Cl4 Cu H12 N2 O2 -

- Cl8 Cu2 H24 N4 O4 -

2

0.125

Chrobak, L

Quantitative Spectrometric studies of ammonium and of potassium cupric chloride dihydrate (N H~4~)~2~ Cu Cl~4~ (H~2~ O)~2~ and K~2~ Cu Cl~4~ (H~2~ O)~2~

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,934

88

35

47

null

has coordinates

Chrobak, L Quantitative Spectrometric studies of ammonium and of potassium cupric chloride dihydrate (N H~4~)~2~ Cu Cl~4~ (H~2~ O)~2~ and K~2~ Cu Cl~4~ (H~2~ O)~2~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 88 (1934) 35-47

296,116

2024-11-26

15:33:35

#------------------------------------------------------------------------------ #$Date: 2024-11-26 17:33:34 +0200 (Tue, 26 Nov 2024) $ #$Revision: 296116 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/00/1010005.cif $ #-------------------------------------------------------------------...

1,010,006

7.58

null

7.58

null

7.95

null

90

null

90

null

90

null

456.8

null

5

P 42/m n m

-P 4n 2n

136

Diammonium copper tetrachloride dihydrate

- Cl4 Cu H12 N2 O2 -

- Cl8 Cu2 H24 N4 O4 -

2

0.125

Chrobak, L

Quantitative spectrometric studies of ammonium and of potassium cupric chloride dihydrate (N H~4~)~2~ Cu Cl~4~ (H~2~ O)~2~ and K~2~ Cu Cl~4~ (H~2~ O)~2~

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,934

88

35

47

null

has coordinates

Chrobak, L Quantitative spectrometric studies of ammonium and of potassium cupric chloride dihydrate (N H~4~)~2~ Cu Cl~4~ (H~2~ O)~2~ and K~2~ Cu Cl~4~ (H~2~ O)~2~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 88 (1934) 35-47

296,116

2024-11-26

15:33:35

#------------------------------------------------------------------------------ #$Date: 2024-11-26 17:33:34 +0200 (Tue, 26 Nov 2024) $ #$Revision: 296116 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/00/1010006.cif $ #-------------------------------------------------------------------...

7,015,374

10.0082

0.0003

20.6549

0.0005

21.9508

0.0006

90

null

95.564

0.002

90

null

4,516.3

0.2

150

2

150

2

null

8

P 1 21/n 1

-P 2yn

14

- C50.5 H48 B Cl F4 O P2 Ru -

- C202 H192 B4 Cl4 F16 O4 P8 Ru4 -

4

1

Yang, Hsuan; Chung, Chia-Pei; Lin, Ying-Chih; Liu, Yi-Hong

Facile oxygenation reactions of ruthenium acetylide complex containing substituted olefinic group.

Dalton transactions (Cambridge, England : 2003)

2,011

40

14

3703

3710

10.1039/c0dt01551b

0.71073

MoKα

0.0843

0.0427

null

0.1034

0.1132

null

0.817

null

has coordinates,has disorder

Yang, Hsuan; Chung, Chia-Pei; Lin, Ying-Chih; Liu, Yi-Hong Facile oxygenation reactions of ruthenium acetylide complex containing substituted olefinic group. Dalton transactions (Cambridge, England : 2003) 40(14) (2011) 3703-3710

176,453

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015374.cif $ #-------------------------------------------------------------------...

1,010,007

7.58

null

7.58

null

7.95

null

90

null

90

null

90

null

456.8

null

5

P 42/m n m

-P 4n 2n

136

Diammonium copper tetrachloride dihydrate

- Cl4 Cu H12 N2 O2 -

- Cl8 Cu2 H24 N4 O4 -

2

0.125

Chrobak, L

Quantitative spectrometric studies of ammonium and of potassium cupric chloride dihydrate (N H~4~)~2~ Cu Cl~4~ (H~2~ O)~2~ and K~2~ Cu Cl~4~ (H~2~ O)~2~

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,934

88

35

47

null

has coordinates

Chrobak, L Quantitative spectrometric studies of ammonium and of potassium cupric chloride dihydrate (N H~4~)~2~ Cu Cl~4~ (H~2~ O)~2~ and K~2~ Cu Cl~4~ (H~2~ O)~2~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 88 (1934) 35-47

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/1/01/00/1010007.cif $ #-------------------------------------------------------------------...

1,010,008

8.18

null

8.29

null

3.96

null

90

null

90

null

90

null

268.5

null

4

C m m 2

C 2 -2

35

Diamminecadmium chloride

- Cd Cl2 H6 N2 -

- Cd2 Cl4 H12 N4 -

2

0.25

MacGillavry, C H; Bijvoet, J M

Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,936

94

231

245

null

has coordinates

MacGillavry, C H; Bijvoet, J M Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 231-245

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/1/01/00/1010008.cif $ #-------------------------------------------------------------------...

7,015,373

26.8575

0.001

7.4489

0.0003

13.6206

0.0004

90

null

98.572

0.004

90

null

2,694.48

0.17

298

2

298

2

null

5

C 1 2/c 1

-C 2yc

15

- C28 H28 N6 S2 Zn -

- C112 H112 N24 S8 Zn4 -

4

0.5

Basu, Arghya; Das, Gopal

Oxidative cyclization of thiosemicarbazone: an optical and turn-on fluorescent chemodosimeter for Cu(II).

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2837

2843

10.1039/c0dt01549k

0.71073

MoKα

0.0717

0.0441

null

0.0997

0.1073

null

0.89

null

has coordinates

Basu, Arghya; Das, Gopal Oxidative cyclization of thiosemicarbazone: an optical and turn-on fluorescent chemodosimeter for Cu(II). Dalton transactions (Cambridge, England : 2003) 40(12) (2011) 2837-2843

179,857

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:40:45 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179857 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015373.cif $ #-------------------------------------------------------------------...

1,010,009

8.18

null

8.29

null

3.96

null

90

null

90

null

90

null

268.5

null

4

C m m m

-C 2 2

65

Diamminecadmium chloride

- Cd Cl2 H6 N2 -

- Cd Cl2 H6.75 N2 -

- Cd2 Cl4 H13.5 N4 -

2

0.125

MacGillavry, C H; Bijvoet, J M

Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,936

94

231

245

null

has coordinates

MacGillavry, C H; Bijvoet, J M Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 231-245

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/1/01/00/1010009.cif $ #-------------------------------------------------------------------...

1,010,010

8.55

null

8.55

null

4.13

null

90

null

90

null

90

null

301.9

null

4

C m m 2

C 2 -2

35

Diamminecadmium bromide

- Br2 Cd H6 N2 -

- Br4 Cd2 H12 N4 -

2

0.25

MacGillavry, C H; Bijvoet, J M

Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,936

94

231

245

null

has coordinates

MacGillavry, C H; Bijvoet, J M Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 231-245

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/1/01/00/1010010.cif $ #-------------------------------------------------------------------...

1,010,011

8.55

null

8.55

null

4.13

null

90

null

90

null

90

null

301.9

null

4

C m m m

-C 2 2

65

Diamminecadmium bromide

- Br2 Cd H6 N2 -

- Br2 Cd H6.75 N2 -

- Br4 Cd2 H13.5 N4 -

2

0.125

MacGillavry, C H; Bijvoet, J M

Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,936

94

231

245

null

has coordinates

MacGillavry, C H; Bijvoet, J M Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 231-245

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/1/01/00/1010011.cif $ #-------------------------------------------------------------------...

1,010,012

8.12

null

8.12

null

4.06

null

90

null

90

null

90

null

267.7

null

4

C m m m

-C 2 2

65

Diamminemercury chloride

- Cl2 H6 Hg N2 -

- Cl2 H6.75 Hg N2 -

- Cl4 H13.5 Hg2 N4 -

2

0.125

MacGillavry, C H; Bijvoet, J M

Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,936

94

231

245

null

has coordinates

MacGillavry, C H; Bijvoet, J M Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 231-245

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/1/01/00/1010012.cif $ #-------------------------------------------------------------------...

7,015,372

25.962

0.001

7.7407

0.0003

13.1235

0.0005

90

null

96.079

0.004

90

null

2,622.52

0.18

298

2

298

2

null

5

C 1 2/c 1

-C 2yc

15

- C28 H28 N6 Ni S2 -

- C112 H112 N24 Ni4 S8 -

4

0.5

Basu, Arghya; Das, Gopal

Oxidative cyclization of thiosemicarbazone: an optical and turn-on fluorescent chemodosimeter for Cu(II).

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2837

2843

10.1039/c0dt01549k

0.71073

MoKα

0.0493

0.0348

null

0.0879

0.0923

null

0.978

null

has coordinates

Basu, Arghya; Das, Gopal Oxidative cyclization of thiosemicarbazone: an optical and turn-on fluorescent chemodosimeter for Cu(II). Dalton transactions (Cambridge, England : 2003) 40(12) (2011) 2837-2843

179,857

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:40:45 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179857 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015372.cif $ #-------------------------------------------------------------------...

1,010,013

4.19

0.02

4.19

0.02

7.94

0.03

90

null

90

null

90

null

139.4

null

4

P -4

81

Ammonium mercury trichloride

- Cl3 H4 Hg N -

- Cl3 H5 Hg N -

1

0.25

Harmsen, E. J.

The crystal structure of NH~4~HgCl~3~

Zeitschrift für Kristallographie - Crystalline Materials

1,939

100

1-6

208

211

10.1524/zkri.1939.100.1.208

null

has coordinates

Harmsen, E. J. The crystal structure of NH~4~HgCl~3~ Zeitschrift für Kristallographie - Crystalline Materials 100(1-6) (1939) 208-211

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/1/01/00/1010013.cif $ #-------------------------------------------------------------------...

1,010,014

10.02

null

10.02

null

6.35

null

90

null

90

null

120

null

552.1

null

3

P 3 2 1

P 3 2"

150

Rubidium dithionate

- O6 Rb2 S2 -

- O18 Rb6 S6 -

3

0.5

Barnes, W. H.; Wendling, A. V.

The structure of rubidium dithionate Rb~2~S~2~O~6~

Zeitschrift für Kristallographie - Crystalline Materials

1,938

99

1-6

153

180

10.1524/zkri.1938.99.1.153

null

has coordinates

Barnes, W. H.; Wendling, A. V. The structure of rubidium dithionate Rb~2~S~2~O~6~ Zeitschrift für Kristallographie - Crystalline Materials 99(1-6) (1938) 153-180

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/1/01/00/1010014.cif $ #-------------------------------------------------------------------...

1,010,015

7.22

0.01

7.22

0.01

7.22

0.01

111.48

null

111.48

null

111.48

null

266

null

3

R -3 c :R

-P 3* 2n

167

Sodium metaborate

- B3 Na3 O6 -

- B6 Na6 O12 -

2

0.166667

Ssu-Mien Fang

The crystal structure of sodium metaborate Na~3~B~3~O~6~

Zeitschrift für Kristallographie - Crystalline Materials

1,938

99

1-6

1

8

10.1524/zkri.1938.99.1.1

null

has coordinates

Ssu-Mien Fang The crystal structure of sodium metaborate Na~3~B~3~O~6~ Zeitschrift für Kristallographie - Crystalline Materials 99(1-6) (1938) 1-8

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/1/01/00/1010015.cif $ #-------------------------------------------------------------------...

1,010,016

5.3222

0.0004

5.3222

null

11.93

null

90

null

90

null

90

null

337.9

null

3

I 41/a :1

I 4bw -1bw

88

Sodium iodate(VII)

- I Na O4 -

- I4 Na4 O16 -

4

0.25

Hazlewood, E. A.

A Determination of the Oxygen Parameters for NaIO~4~

Zeitschrift für Kristallographie - Crystalline Materials

1,938

98

1-6

439

446

10.1524/zkri.1938.98.1.439

null

has coordinates

Hazlewood, E. A. A Determination of the Oxygen Parameters for NaIO~4~ Zeitschrift für Kristallographie - Crystalline Materials 98(1-6) (1938) 439-446

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/1/01/00/1010016.cif $ #-------------------------------------------------------------------...

7,015,371

8.8572

0.0009

8.964

0.0009

9.6791

0.001

98.898

0.007

99.319

0.007

113.365

0.005

675.52

0.13

298

2

298

2

null

4

P -1

-P 1

2

- C14 H15 N3 S -

- C28 H30 N6 S2 -

2

1

Basu, Arghya; Das, Gopal

Oxidative cyclization of thiosemicarbazone: an optical and turn-on fluorescent chemodosimeter for Cu(II).

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2837

2843

10.1039/c0dt01549k

0.71073

MoKα

0.1368

0.0828

null

0.1915

0.2043

null

1.062

null

has coordinates

Basu, Arghya; Das, Gopal Oxidative cyclization of thiosemicarbazone: an optical and turn-on fluorescent chemodosimeter for Cu(II). Dalton transactions (Cambridge, England : 2003) 40(12) (2011) 2837-2843

301,847

2025-08-21

11:39:34

#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015371.cif $ #-------------------------------------------------------------------...

1,010,017

5.584

null

5.584

null

22.45

null

90

null

90

null

120

null

606.2

null

3

P 63/m m c

-P 6c 2c

194

Sodium 11-aluminium oxide

- Al11 Na O17 -

- Al22 Na2 O34 -

2

0.083333

Beevers, C. A.; Ross, M. A. S.

The crystal structure of "β alumina" Na~2~O · 11(Al~2~O~3~)

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,937

97

1-6

59

66

10.1524/zkri.1937.97.1.59

null

has coordinates

Beevers, C. A.; Ross, M. A. S. The crystal structure of "β alumina" Na~2~O · 11(Al~2~O~3~) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 97(1-6) (1937) 59-66

200,083

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-01 22:24:02 +0300 (Fri, 01 Sep 2017) $ #$Revision: 200083 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/00/1010017.cif $ #-------------------------------------------------------------------...

1,010,018

8.21

null

12.05

null

9.1

null

90

null

90

null

90

null

900.3

null

5

P b n m

-P 2c 2ab

62

Dipotassium tin chloride hydrate

- Cl4 H2 K2 O Sn -

- Cl16 H8 K8 O4 Sn4 -

4

0.5

Brasseur, H; de Rassenfosse, A

The crystal structure of hydrated potassium chlorostannite

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,939

101

389

395

null

has coordinates

Brasseur, H; de Rassenfosse, A The crystal structure of hydrated potassium chlorostannite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 101 (1939) 389-395

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/1/01/00/1010018.cif $ #-------------------------------------------------------------------...

1,010,019

9.2

null

11.42

null

4.3

null

90

null

90

null

90

null

451.8

null

2

P b n m

-P 2c 2ab

62

Strontium bromide

- Br2 Sr -

- Br8 Sr4 -

4

0.5

Kamermans, M A

The crystal structure of Sr Br~2~

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,939

101

406

411

null

has coordinates

Kamermans, M A The crystal structure of Sr Br~2~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 101 (1939) 406-411

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/1/01/00/1010019.cif $ #-------------------------------------------------------------------...

1,010,020

4.05

null

4.05

null

4.9

null

90

null

90

null

90

null

80.4

null

3

P 4/n m m :1

P 4ab 2ab -1ab

129

Lead bismuth oxide (.3/.7/1.3)

- Bi0.67 O1.33 Pb0.33 -

- Bi0.67 O1.34 Pb0.33 -

- Bi1.34 O2.68 Pb0.66 -

2

0.125

Sillen, L G; Aurivillius, B

Oxide phases with a defect oxygen lattice

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,939

101

483

495

null

has coordinates

Sillen, L G; Aurivillius, B Oxide phases with a defect oxygen lattice Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 101 (1939) 483-495

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/1/01/00/1010020.cif $ #-------------------------------------------------------------------...

7,015,370

7.2254

0.0003

8.4194

0.0004

21.4719

0.001

90

null

90

null

90

null

1,306.21

0.1

298

2

298

2

null

4

P 21 21 21

P 2ac 2ab

19

- C14 H13 N3 S -

- C56 H52 N12 S4 -

4

1

Basu, Arghya; Das, Gopal

Oxidative cyclization of thiosemicarbazone: an optical and turn-on fluorescent chemodosimeter for Cu(II).

Dalton transactions (Cambridge, England : 2003)

2,011

40

12

2837

2843

10.1039/c0dt01549k

0.71073

MoKα

0.0557

0.0368

null

0.0986

0.1053

null

1.035

null

has coordinates

Basu, Arghya; Das, Gopal Oxidative cyclization of thiosemicarbazone: an optical and turn-on fluorescent chemodosimeter for Cu(II). Dalton transactions (Cambridge, England : 2003) 40(12) (2011) 2837-2843

301,847

2025-08-21

11:39:34

#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015370.cif $ #-------------------------------------------------------------------...

1,010,021

3.98

null

3.98

null

5.15

null

90

null

90

null

90

null

81.6

null

3

P 4/n m m :1

P 4ab 2ab -1ab

129

Lead bismuth oxide (.5/.5/1.3)

- Bi0.5 O1.33 Pb0.5 -

- Bi0.5 O1.34 Pb0.5 -

- Bi O2.68 Pb -

2

0.125

Sillen, L G; Aurivillius, B

Oxide phases with a defect oxygen lattice

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,939

101

483

495

null

has coordinates

Sillen, L G; Aurivillius, B Oxide phases with a defect oxygen lattice Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 101 (1939) 483-495

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/1/01/00/1010021.cif $ #-------------------------------------------------------------------...

1,010,022

3.97

null

3.97

null

28.59

null

90

null

90

null

120

null

390.2

null

3

R -3 m HR

166

Strontium bismuth oxide (.8/2.2/4)

- Bi2.22 O4 Sr0.78 -

- Bi2.22 O4.02 Sr0.78 -

- Bi6.66 O12.06 Sr2.34 -

3

null

Sillen, L G; Aurivillius, B

Oxide phases with a defect oxygen lattice

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,939

101

483

495

null

has coordinates

Sillen, L G; Aurivillius, B Oxide phases with a defect oxygen lattice Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 101 (1939) 483-495

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/1/01/00/1010022.cif $ #-------------------------------------------------------------------...

1,010,023

5.91

null

9.23

null

7.2

null

90

null

90

null

90

null

392.8

null

3

P b n n

-P 2n 2b

52

Sodium chromate

- Cr Na2 O4 -

- Cr4 Na8 O16 -

4

0.5

Miller, J J

The crystal structure of anhydrous sodium chromate, Na~2~ Cr O~4~

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,936

94

131

136

null

has coordinates

Miller, J J The crystal structure of anhydrous sodium chromate, Na~2~ Cr O~4~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 131-136

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/1/01/00/1010023.cif $ #-------------------------------------------------------------------...

1,010,024

10.316

0.001

10.316

null

10.316

null

90

null

90

null

90

null

1,097.8

null

4

P a -3

-P 2ac 2ab 3

205

Zinc bromate hexahydrate

- Br2 H12 O12 Zn -

- Br8 H48 O48 Zn4 -

4

0.166667

Yue, S H; Beevers, C A

The crystal structure of zinc bromate hexahydrate Zn (Br O~3~)~2~ (H~2~ O)~6~

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,936

95

426

434

null

has coordinates

Yue, S H; Beevers, C A The crystal structure of zinc bromate hexahydrate Zn (Br O~3~)~2~ (H~2~ O)~6~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 95 (1936) 426-434

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/1/01/00/1010024.cif $ #-------------------------------------------------------------------...

1,010,025

9.51

null

5.65

null

6.42

null

90

null

90

null

90

null

345

null

3

B 1 21/d 1

-P 2ybc (x+1/2*z,y,1/2*z)

14

Iron arsenide sulfide (1/1/1)

- 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

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

208,306

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-13 05:01:30 +0300 (Wed, 13 Jun 2018) $ #$Revision: 208306 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/00/1010025.cif $ #-------------------------------------------------------------------...

1,010,026

5.45

null

5.45

null

5.45

null

55.13

null

55.13

null

55.13

null

101.5

null

3

R -3 :R

-P 3*

148

Nickel titanium oxide

- Ni O3 Ti -

- Ni2 O6 Ti2 -

2

0.333333

Posnjak, E; Barth, T F W

Notes on some structures of the Ilmenite type

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,934

88

271

280

null

has coordinates

Posnjak, E; Barth, T F W Notes on some structures of the Ilmenite type Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 88 (1934) 271-280

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/1/01/00/1010026.cif $ #-------------------------------------------------------------------...

1,010,027

5.82

null

5.82

null

5.82

null

53.6

null

53.6

null

53.6

null

118.5

null

3

R -3 :R

-P 3*

148

Cadmium titanium oxide - low temperature modification

- Cd O3 Ti -

- Cd2 O6 Ti2 -

2

0.333333

Posnjak, E; Barth, T F W

Notes on some structures of the Ilmenite type

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,934

88

271

280

null

has coordinates

Posnjak, E; Barth, T F W Notes on some structures of the Ilmenite type Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 88 (1934) 271-280

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/1/01/00/1010027.cif $ #-------------------------------------------------------------------...

7,015,369

12.6317

0.0009

17.4642

0.0009

21.9583

0.0014

90

null

92.655

0.004

90

null

4,838.9

0.5

139

2

139

2

null

4

C 1 2/c 1

-C 2yc

15

vanadium complex

- C48 H88 O8 V2 -

- C192 H352 O32 V8 -

4

0.5

Westrup, Kátia C M; Gregório, Thaiane; Stinghen, Danilo; Reis, Dayane M.; Hitchcock, Peter B.; Ribeiro, Ronny R.; Barison, Andersson; Back, Davi F.; de Sá, Eduardo L; Nunes, Giovana G.; Soares, Jaísa F

Non-oxo vanadium(IV) alkoxide chemistry: solid state structures, aggregation equilibria and thermochromic behaviour in solution.

Dalton transactions (Cambridge, England : 2003)

2,011

40

13

3198

3210

10.1039/c0dt01547d

0.71073

MoKα

0.0367

0.0318

null

0.0957

0.1047

null

0.921

null

has coordinates

Westrup, Kátia C M; Gregório, Thaiane; Stinghen, Danilo; Reis, Dayane M.; Hitchcock, Peter B.; Ribeiro, Ronny R.; Barison, Andersson; Back, Davi F.; de Sá, Eduardo L; Nunes, Giovana G.; Soares, Jaísa F Non-oxo vanadium(IV) alkoxide chemistry: solid state structures, aggregation equilibria and thermochromic behaviour in...

301,847

2025-08-21

11:39:34

#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/53/7015369.cif $ #-------------------------------------------------------------------...

1,010,028

10.302

0.03

10.302

null

4.34

0.02

90

null

90

null

90

null

460.6

null

5

P 4/m b m

-P 4 2ab

127

Tetraamminepalladium chloride hydrate

- Cl2 H14 N4 O Pd -

- Cl4 H28 N8 O2 Pd2 -

2

0.125

Dickinson, B N

The crystal structure of tetramminopalladous chloride Pd (N H~3~)~4~ Cl~2~ H~2~ O

Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)

1,934

88

281

297

null

has coordinates

Dickinson, B N The crystal structure of tetramminopalladous chloride Pd (N H~3~)~4~ Cl~2~ H~2~ O Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 88 (1934) 281-297

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/1/01/00/1010028.cif $ #-------------------------------------------------------------------...