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

7,015,157

13.1262

0.0004

7.401

0.0002

20.7051

0.0005

90

null

90

null

90

null

2,011.44

0.1

123

2

123

2

null

5

P b c n

-P 2n 2ab

60

- C16 H24 N6 O3 S2 -

- C64 H96 N24 O12 S8 -

4

0.5

Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu

Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

13

3219

3228

10.1039/c0dt01291b

0.71073

MoKα

0.0588

0.0392

null

0.1061

0.1124

null

1.006

null

has coordinates,has disorder

Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes. ...

301,847

2025-08-21

11:39:33

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1,100,035

4.244

null

4.244

null

4.244

null

90

null

90

null

90

null

76.4

null

2

F m -3 m

-F 4 2 3

225

Titanium(III) nitride

Osbornite

- N Ti -

- N4 Ti4 -

4

0.020833

Brager, A

Acta Physicochimica (USSR)

1,939

9

617

632

null

1,011,099

null

has coordinates

Brager, A Acta Physicochimica (USSR) 9 (1939) 617-632

287,519

2023-11-10

19:29:20

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1,100,036

4.238

null

4.238

null

4.238

null

90

null

90

null

90

null

76.1

null

2

F m -3 m

-F 4 2 3

225

Titanium(III) nitride

Osbornite

- N Ti -

- N4 Ti4 -

4

0.020833

Schoenberg, N

Acta Chemica Scandinavica (1-27,1973-42,1988)

1,954

8

213

220

10.3891/acta.chem.scand.08-0213

null

has coordinates

Schoenberg, N Acta Chemica Scandinavica (1-27,1973-42,1988) 8 (1954) 213-220

278,161

2022-09-26

15:30:25

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1,100,037

4.239

0.001

4.239

0.001

4.239

0.001

90

null

90

null

90

null

76.2

null

2

F m -3 m

-F 4 2 3

225

Titanium nitride (1/0.9)

Osbornite

- N0.9 Ti -

- N3.6 Ti4 -

4

0.020833

Christensen, A N

The temperature factor parameters of some transition metal carbides and nitrides by single crystal X-ray and neutron diffraction

Acta Chemica Scandinavica, Series A: (28,1974-)

1,978

32

89

90

null

0.036

null

has coordinates

Christensen, A N The temperature factor parameters of some transition metal carbides and nitrides by single crystal X-ray and neutron diffraction Acta Chemica Scandinavica, Series A: (28,1974-) 32 (1978) 89-90

176,435

2020-10-21

18:00:00

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1,100,038

4.4

null

4.4

null

4.4

null

90

null

90

null

90

null

85.2

null

2

F m -3 m

-F 4 2 3

225

Titanium(III) nitride

Osbornite

- N Ti -

- N4 Ti4 -

4

0.020833

Becker, K; Ebert, F

Zeitschrift fuer Physik

1,925

31

268

272

10.1007/BF02980580

null

1,011,316

null

has coordinates

Becker, K; Ebert, F Zeitschrift fuer Physik 31 (1925) 268-272

287,519

2023-11-10

19:29:20

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1,100,039

4.235

0.002

4.235

0.002

4.235

0.002

90

null

90

null

90

null

76

null

2

F m -3 m

-F 4 2 3

225

Titanium nitride (0.76/1)

Osbornite

- N Ti0.76 -

- N4 Ti3.04 -

4

0.020833

Christensen, A. N.

A Neutron Diffraction Investigation on Single Crystals of Titanium Carbide, Titanium Nitride, and Zirconium Nitride

Acta Chemica Scandinavica

1,975

29

563

564

10.3891/acta.chem.scand.29a-0563

null

0.037

null

has coordinates

Christensen, A. N. A Neutron Diffraction Investigation on Single Crystals of Titanium Carbide, Titanium Nitride, and Zirconium Nitride Acta Chemica Scandinavica 29 (1975) 563-564

278,161

2022-09-26

15:30:50

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1,100,040

2.9795

null

2.9795

null

28.96492

null

90

null

90

null

120

null

227.8

null

2

R -3 m :H

-R 3 2"

166

Titanium nitride (4/2.33) - ζ

Osbornite

- N2.333 Ti4 -

- N2.332 Ti4 -

- N6.996 Ti12 -

3

0.083333

Lengauer, W.; Ettmayer, P.

The crystal structure of a new phase in the titanium-nitrogen system

Journal of the Less-Common Metals

1,986

120

153

159

10.1016/0022-5088(86)90637-5

null

0.092

null

1,101,047

null

has coordinates

Lengauer, W.; Ettmayer, P. The crystal structure of a new phase in the titanium-nitrogen system Journal of the Less-Common Metals 120 (1986) 153-159

180,595

2020-10-21

18:00:00

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1,100,041

4.198

0.002

4.198

0.002

8.591

0.005

90

null

90

null

90

null

151.4

null

2

I 41/a m d :1

I 4bw 2bw -1bw

141

Titanium nitride (1/0.61) - $-alpha

- N0.61 Ti -

- N4.88 Ti8 -

8

0.25

Nagakura, S; Kusunoki, T

Structure of Ti Nx studied by electron diffraction and microscopy

Journal of Applied Crystallography

1,977

10

52

56

10.1107/S0021889877012795

null

has coordinates

Nagakura, S; Kusunoki, T Structure of Ti Nx studied by electron diffraction and microscopy Journal of Applied Crystallography 10 (1977) 52-56

176,435

2020-10-21

18:00:00

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1,100,042

5.855

0.003

9.34

0.005

4.142

0.002

90

null

90

null

107.53

0.05

216

null

2

A 1 1 2/m

-A 2

12

Titanium oxide (1/1)

- O Ti -

- O10 Ti10 -

10

1.25

Watanabe, D; Castles, J R; Jostsons, A; Malin, A S

The ordered structure of Ti O

Acta Crystallographica (1,1948-23,1967)

1,967

23

307

313

10.1107/S0365110X67002634

null

has coordinates

Watanabe, D; Castles, J R; Jostsons, A; Malin, A S The ordered structure of Ti O Acta Crystallographica (1,1948-23,1967) 23 (1967) 307-313

202,026

2020-10-21

18:00:00

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1,100,043

5.4145

0.009

5.4145

0.009

5.4145

0.009

90

null

90

null

90

null

158.7

null

2

F -4 3 m

F -4 2 3

216

Zinc sulfide

Sphalerite

- S Zn -

- S4 Zn4 -

4

0.041667

Jumpertz, E. A.

Electron-density distribution in zinc blende

Zeitschrift für Elektrochemie und angewandte physikalische Chemie

1,955

59

419

425

null

has coordinates

Jumpertz, E. A. Electron-density distribution in zinc blende Zeitschrift für Elektrochemie und angewandte physikalische Chemie 59 (1955) 419-425

202,022

2020-10-21

18:00:00

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1,100,044

3.8227

0.0001

3.8227

0.0001

6.2607

0.0001

90

null

90

null

120

null

79.2

null

2

P 63 m c

P 6c -2c

186

Zinc sulfide

Wurtzite

- S Zn -

- S2 Zn2 -

2

0.166667

Kisi, E. H.; Elcombe, M. M.

u parameters for the wurtzite structure of ZnS and ZnO using powder neutron diffraction

Acta Crystallographica Section C

1,989

45

12

1867

1870

10.1107/S0108270189004269

null

0.0575

null

has coordinates

Kisi, E. H.; Elcombe, M. M. u parameters for the wurtzite structure of ZnS and ZnO using powder neutron diffraction Acta Crystallographica Section C 45(12) (1989) 1867-1870

278,161

2022-09-26

15:31:04

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1,100,045

9.9096

0.0001

10.0634

0.0001

9.3552

0.0001

90

null

120.068

0.0003

90

null

807.39

null

4

C 1 2/c 1

-C 2yc

15

Lithium Aluminium Boron Oxide (1/1/2/5)

- Al B2 Li O5 -

- Al8 B16 Li8 O40 -

8

1

He, M; Chen, X; Lan, Y; Li, H; Xu, Y

Ab initio structure determination of new compound LiAlB~2~O~5~

Journal of Solid State Chemistry

2,001

156

181

184

10.1006/jssc.2000.8979

null

0.07

null

has coordinates

He, M; Chen, X; Lan, Y; Li, H; Xu, Y Ab initio structure determination of new compound LiAlB~2~O~5~ Journal of Solid State Chemistry 156 (2001) 181-184

198,384

2020-10-21

18:00:00

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1,100,046

15.473

0.001

8.294

0.0008

5.8392

0.0006

90

null

90

null

90

null

749.3

null

4

C c c 2

C 2 -2c

37

Calcium Gallium Boron Oxide (1/1/1/4)

- B Ca Ga O4 -

- B8 Ca8 Ga8 O32 -

8

1

Yang, Z.; Liang, J. K.; Chen, X. L.; Xu, T.; Xu, Y. P.

Synthesis and crystal structure of a new compound CaGaBO~4~

Journal of Alloys and Compounds

2,001

327

1-2

215

219

10.1016/S0925-8388(01)01416-5

null

0.1

null

has coordinates

Yang, Z.; Liang, J. K.; Chen, X. L.; Xu, T.; Xu, Y. P. Synthesis and crystal structure of a new compound CaGaBO~4~ Journal of Alloys and Compounds 327(1-2) (2001) 215-219

176,729

2020-10-21

18:00:00

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1,100,047

4.8113

0.0001

4.8113

0.0001

15.2781

0.0003

90

null

90

null

120

null

306.29

null

4

P -3 1 c

-P 3 2c

163

Sodium Aluminium Boron Oxide (2/2/2/7)

- Al2 B2 Na2 O7 -

- Al4 B4 Na4 O14 -

2

0.166667

He, M; Chen, X; Zhou, T; Hu, B; Xu, Y; Xu, T

Crystal structureand infrared spectra of Li~2~Al~2~B~2~O~7~

Journal of Alloys and Compounds

2,001

327

210

214

10.1016/S0925-8388(01)01561-4

null

0.06

null

has coordinates

He, M; Chen, X; Zhou, T; Hu, B; Xu, Y; Xu, T Crystal structureand infrared spectra of Li~2~Al~2~B~2~O~7~ Journal of Alloys and Compounds 327 (2001) 210-214

176,729

2020-10-21

18:00:00

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1,100,048

9.09

null

9.09

null

9.09

null

90

null

90

null

90

null

751.09

null

2

I -4 3 m

I -4 2 3

217

- Al2 Cr -

- Al32.004 Cr19.996 -

null

Braun, J.; Ellner, M.; Predel, B.

Zur struktur der hochtemperaturphase Cr~5~Al~8~(h)

Journal of Alloys and Compounds

1,992

183

444

448

10.1016/0925-8388(92)90766-3

null

has coordinates

Braun, J.; Ellner, M.; Predel, B. Zur struktur der hochtemperaturphase Cr~5~Al~8~(h) Journal of Alloys and Compounds 183 (1992) 444-448

209,452

2020-10-21

18:00:00

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7,015,156

16.0268

0.0009

5.0807

0.0004

14.6896

0.0011

90

null

113.493

0.003

90

null

1,096.99

0.14

100

2

100

2

null

5

C 1 2 1

C 2y

5

- C18 H24 N6 Ni S4 -

- C36 H48 N12 Ni2 S8 -

2

0.5

Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu

Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

13

3219

3228

10.1039/c0dt01291b

0.71073

MoKα

0.0501

0.0373

null

0.0689

0.0734

null

1.025

null

has coordinates

Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes. ...

179,855

2020-10-21

18:00:00

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1,100,049

7.805

null

7.805

null

7.805

null

109.127

null

109.127

null

109.127

null

370.6

null

2

R 3 m :R

P 3* -2

160

- Al8 Cr5 -

- Al16 Cr10 -

2

0.333333

A. J. Bradley; S. S. Lu

The Crystal Structures of Cr~2~Al and Cr~2~Al~8~

Z. Kristallogr. A

1,937

96

1

20

37

10.1524/zkri.1937.96.1.20

null

has coordinates

A. J. Bradley; S. S. Lu The Crystal Structures of Cr~2~Al and Cr~2~Al~8~ Z. Kristallogr. A 96(1) (1937) 20-37

209,452

2020-10-21

18:00:00

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1,100,050

7.811

null

7.811

null

7.811

null

109.13

null

109.13

null

109.13

null

371.42

null

2

R 3 m :R

P 3* -2

160

- Al16 Cr9.5 -

- Al15.9999 Cr9.5001 -

1

0.166667

Brandon, J. K.; Pearson, W. B.; Riley, P. W.; Chien, C.; Stokhuyzen, R.

γ-Brasses with R cells

Acta Crystallographica Section B

1,977

33

4

1088

1095

10.1107/S0567740877005433

null

has coordinates

Brandon, J. K.; Pearson, W. B.; Riley, P. W.; Chien, C.; Stokhuyzen, R. γ-Brasses with R cells Acta Crystallographica Section B 33(4) (1977) 1088-1095

209,452

2020-10-21

18:00:00

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1,100,051

12.696302

0

12.696302

0

7.921091

0.000001

90

null

90

null

120

0.3

1,105.78

0.03

300

null

3

R 3 m :H

R 3 -2"

160

- Al65 Cr27 Fe8 -

- Al49.7401 Cr21.408 Fe5.35311 -

null

Brandon, J. K.; Pearson, W. B.; Riley, P. W.; Chien, C.; Stokhuyzen, R.

γ-Brasses with R cells

Acta Crystallographica Section B

1,977

33

4

1088

1095

10.1107/S0567740877005433

powder diffraction

null

has coordinates

Brandon, J. K.; Pearson, W. B.; Riley, P. W.; Chien, C.; Stokhuyzen, R. γ-Brasses with R cells Acta Crystallographica Section B 33(4) (1977) 1088-1095

176,729

2020-10-21

18:00:00

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1,100,052

15.3706

0.0002

8.9921

0.0001

5.9191

0.0001

90

null

90

null

90

null

818.11

0.02

null

4

P 21 21 2

P 2 2ab

18

Strontium Gallium Boron Oxide (1/1/1/4)

- B Ga O4 Sr -

- B8 Ga8 O32 Sr8 -

8

2

Yang, Z; Liang, J; Chen, X; Chen, J

Ab intio structure determination of a new compound, beta-SrGaBO~4~,from powder diffraction data

Journal of Solid State Chemistry

2,002

165

119

124

10.1006/jssc.2001.9509

null

0.11

null

has coordinates

Yang, Z; Liang, J; Chen, X; Chen, J Ab intio structure determination of a new compound, beta-SrGaBO~4~,from powder diffraction data Journal of Solid State Chemistry 165 (2002) 119-124

130,149

2020-10-21

18:00:00

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1,100,053

10.8277

0.0014

11.8401

0.0015

10.3631

0.0014

90

null

111.96

0.003

90

null

1,232.2

0.3

150

2

150

2

null

5

C 1 2/m 1

-C 2y

12

- Ba5 Cl2.5 Mo N4 O0.75 -

- Ba20 Cl10 Mo4 N16 O3 -

4

0.5

Francesconi, M. Grazia; Barker, Marten G.; Wilson, Claire

Novel ternary N-containing mixed-anion compounds with ionic and covalent features

Chemical Communications (Cambridge, United Kingdom)

2,002

null

13

1358

1359

10.1039/b203382h

0.71073

MoKα

0.0474

0.0413

null

0.111

0.1145

null

1.034

null

has coordinates

Francesconi, M. Grazia; Barker, Marten G.; Wilson, Claire Novel ternary N-containing mixed-anion compounds with ionic and covalent features Chemical Communications (Cambridge, United Kingdom) (issue 13) (2002) 1358-1359

178,219

2020-10-21

18:00:00

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1,100,054

5.0205

0.0002

5.0205

0.0002

16.3844

0.0001

90

null

90

null

120

null

357.641

0.001

null

4

R -3 :H

-R 3

148

Barium Titanium Boron Oxide (1/1/2/6)

- B2 Ba O6 Ti -

- B6 Ba3 O18 Ti3 -

3

0.166667

Zhang, S; Wu, X; Chen, X; He, M; Cao, Y; Song,Y; Ni,D

A structural study of BaTi(BO~3~)~2~

Materials Research Bulletin

2,003

38

783

788

10.1016/S0025-5408(03)00073-4

null

0.09

null

has coordinates

Zhang, S; Wu, X; Chen, X; He, M; Cao, Y; Song,Y; Ni,D A structural study of BaTi(BO~3~)~2~ Materials Research Bulletin 38 (2003) 783-788

198,385

2020-10-21

18:00:00

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1,100,055

10.5319

0.0003

10.5319

0.0003

6.4077

0.0001

90

null

90

null

120

null

615.53

null

4

P 63 m c

P 6c -2c

186

Calcium Lanthanum Boron Oxide (3/3/5/15)

- B5 Ca3 La3 O15 -

- B10 Ca6 La6 O30 -

2

0.166667

Zhang, Y; Liang, J; Chen, X; He, M; Xu, T

A structural study of Ca~3~La~3~(BO~3~)~5~

Journal of Alloys and Compounds

2,001

327

96

99

10.1016/S0925-8388(01)01405-0

null

0.08

null

has coordinates

Zhang, Y; Liang, J; Chen, X; He, M; Xu, T A structural study of Ca~3~La~3~(BO~3~)~5~ Journal of Alloys and Compounds 327 (2001) 96-99

130,149

2020-10-21

18:00:00

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1,100,056

15.473

0.001

8.294

0.0008

5.8392

0.0006

90

null

90

null

90

null

749.3

null

4

C c c 2

C 2 -2c

37

Calcium Gallium Boron Oxide (1/1/1/4)

- B Ca Ga O4 -

- B8 Ca8 Ga8 O32 -

8

1

Yang, Z; Liang, J; Chen, X; Xu, T; Xu, Y

Synthesis and crystal structure of a new compound CaGaBO~4~

Journal of Alloys and Compounds

2,001

327

215

219

10.1016/S0925-8388(01)01416-5

null

0.1

null

1,100,046

null

has coordinates

Yang, Z; Liang, J; Chen, X; Xu, T; Xu, Y Synthesis and crystal structure of a new compound CaGaBO~4~ Journal of Alloys and Compounds 327 (2001) 215-219

287,519

2023-11-10

19:29:20

#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100056.cif $ #-------------------------------------------------------------------...

1,100,057

8.878

null

8.878

null

8.878

null

90

null

90

null

90

null

699.75

null

2

I -4 3 m

I -4 2 3

217

- Cu5 Zn8 -

- Cu20 Zn32 -

4

0.083333

Brandon, J. K.; Brizard, R. Y.; Chieh, P. C.; McMillan, R. K.; Pearson, W. B.

New refinements of the γ brass type structures Cu~5~Zn~8~, Cu~5~Cd~8~ and Fe~3~Zn~10~

Acta Crystallographica Section B

1,974

30

6

1412

1417

10.1107/S0567740874004997

null

has coordinates

Brandon, J. K.; Brizard, R. Y.; Chieh, P. C.; McMillan, R. K.; Pearson, W. B. New refinements of the γ brass type structures Cu~5~Zn~8~, Cu~5~Cd~8~ and Fe~3~Zn~10~ Acta Crystallographica Section B 30(6) (1974) 1412-1417

209,452

2020-10-21

18:00:00

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1,100,058

8.85

null

8.85

null

8.85

null

90

null

90

null

90

null

693.15

null

2

I -4 3 m

I -4 2 3

217

- Cu5 Zn8 -

- Cu20 Zn32 -

4

0.083333

Bradley, A. J.; Gregory, C. H.

A comparison of the crystal structures of Cu~5~Zn~8~ and Cu~5~Cd~8~

The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science: Series 7

1,931

12

75

143

162

10.1080/14786443109461789

null

has coordinates

Bradley, A. J.; Gregory, C. H. A comparison of the crystal structures of Cu~5~Zn~8~ and Cu~5~Cd~8~ The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science: Series 7 12(75) (1931) 143-162

209,452

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-08-07 20:35:21 +0300 (Tue, 07 Aug 2018) $ #$Revision: 209452 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100058.cif $ #-------------------------------------------------------------------...

1,100,059

8.878

null

8.878

null

8.878

null

90

null

90

null

90

null

699.75

null

2

I -4 3 m

I -4 2 3

217

- Cu5 Zn8 -

- Cu20 Zn32 -

4

0.083333

Brandon, J. K.; Brizard, R. Y.; Chieh, P. C.; McMillan, R. K.; Pearson, W. B.

New refinements of the γ brass type structures Cu~5~Zn~8~, Cu~5~Cd~8~ and Fe~3~Zn~10~

Acta Crystallographica Section B

1,974

30

6

1412

1417

10.1107/S0567740874004997

null

1,100,057

null

has coordinates

Brandon, J. K.; Brizard, R. Y.; Chieh, P. C.; McMillan, R. K.; Pearson, W. B. New refinements of the γ brass type structures Cu~5~Zn~8~, Cu~5~Cd~8~ and Fe~3~Zn~10~ Acta Crystallographica Section B 30(6) (1974) 1412-1417

287,519

2023-11-10

19:29:20

#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100059.cif $ #-------------------------------------------------------------------...

1,100,060

4.876

0.008

6.191

0.016

7.91

0.02

74.46

0.18

89.44

0.17

89.52

0.18

230

0.9

null

4

P -1

-P 1

2

Lithium Aluminium Boron Oxide (3/1/2/6)

- Al B2 Li3 O6 -

- Al2 B4 Li6 O12 -

2

1

He, M; Chen, X; Gramlich, V; Baerlocher, Ch; Zhou, T; Hu, B

Synthesis,structure, and thermal stability of Li~3~AlB~2~O~6~

Journal of Solid State Chemistry

2,002

163

369

376

10.1006/jssc.2001.9364

null

0.07

null

has coordinates

He, M; Chen, X; Gramlich, V; Baerlocher, Ch; Zhou, T; Hu, B Synthesis,structure, and thermal stability of Li~3~AlB~2~O~6~ Journal of Solid State Chemistry 163 (2002) 369-376

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/1/10/00/1100060.cif $ #-------------------------------------------------------------------...

1,100,061

7.0402

0.0004

14.9404

0.0008

7.0433

0.0004

90

null

90.702

0.001

90

null

740.78

0.07

null

4

P 1 21/c 1

-P 2ybc

14

Lithium Aluminum Boron Oxide (2/1/5/10)

- Al B5 Li2 O10 -

- Al4 B20 Li8 O40 -

4

1

He, M.; Li, H.; Chen, X.-L.; Xu, Y.-P.; Xu, T.

Li~2~AlB~5~O~10~

Acta Crystallographica, Section C: Crystal Structure Communications

2,001

57

9

1010

1011

10.1107/S0108270101006205

null

0.034

null

2,012,178

null

has coordinates

He, M.; Li, H.; Chen, X.-L.; Xu, Y.-P.; Xu, T. Li~2~AlB~5~O~10~ Acta Crystallographica, Section C: Crystal Structure Communications 57(9) (2001) 1010-1011

190,400

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-01-11 16:30:12 +0200 (Wed, 11 Jan 2017) $ #$Revision: 190400 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100061.cif $ #-------------------------------------------------------------------...

1,100,062

5.4632

0.0002

5.4632

0.0002

5.0859

0.0006

90

null

90

null

120

null

131.5

null

4

P 63

P 6c

173

Lithium Iron Iodate (1/0.3333/2/6)

- Fe0.333 I2 Li O6 -

- Fe0.3334 I2 Li O6 -

1

0.166667

Lan, Y; Chen, X; Tao, Z; Xie, A; Jiang, P; Xu, T; Xu, Y

X-ray powder diffraction data and Rietveld refinement for a new iodate: (LiFe~1/3~)(IO~3~)~2~

Power Diffraction

2,002

17

132

134

10.1154/1.1460872

null

0.07

null

has coordinates

Lan, Y; Chen, X; Tao, Z; Xie, A; Jiang, P; Xu, T; Xu, Y X-ray powder diffraction data and Rietveld refinement for a new iodate: (LiFe~1/3~)(IO~3~)~2~ Power Diffraction 17 (2002) 132-134

130,149

2020-10-21

18:00:00

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7,015,155

14.768

0.002

27.394

0.003

4.882

0.0006

90

null

90

null

90

null

1,975

0.4

100

2

100

2

null

5

A b a 2

A 2 -2ab

41

- C16 H20 N6 Ni S4 -

- C64 H80 N24 Ni4 S16 -

4

null

Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu

Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

13

3219

3228

10.1039/c0dt01291b

0.71073

MoKα

0.0288

0.0261

null

0.0802

0.0815

null

1.17

null

has coordinates

Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes. ...

179,855

2020-10-21

18:00:00

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1,100,063

3.8089

0.0001

3.8089

0.0001

3.8089

0.0001

90

null

90

null

90

null

55.2584

null

3

P m -3 m

-P 4 2 3

221

Magnesium Carbon Nickel (1/1/3)

- C Mg Ni3 -

1

0.020833

Wei, Z; Chen, X; Che, G; Wang, F; Jiang, P; Li, W; He, M

Debye temperature of the MgCNi~3~ superconductor

Chin. Phys. Lett

2,002

19

249

251

10.1088/0256-307X/19/2/334

null

0.09

null

has coordinates

Wei, Z; Chen, X; Che, G; Wang, F; Jiang, P; Li, W; He, M Debye temperature of the MgCNi~3~ superconductor Chin. Phys. Lett 19 (2002) 249-251

130,149

2020-10-21

18:00:00

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1,100,064

4.8113

0.0001

4.8113

0.0001

15.2781

0.0003

90

null

90

null

120

null

306.29

null

4

P -3 1 c

-P 3 2c

163

Sodium Aluminium Boron Oxide (2/2/2/7)

- Al2 B2 Na2 O7 -

- Al4 B4 Na4 O14 -

2

0.166667

He, M; Chen, X; Zhou, T; Hu, B; Xu, Y; Xu, T

Crystal structureand infrared spectra of Li~2~Al~2~B~2~O~7~

Journal of Alloys and Compounds

2,001

327

210

214

10.1016/S0925-8388(01)01561-4

null

0.06

null

1,100,047

null

has coordinates

He, M; Chen, X; Zhou, T; Hu, B; Xu, Y; Xu, T Crystal structureand infrared spectra of Li~2~Al~2~B~2~O~7~ Journal of Alloys and Compounds 327 (2001) 210-214

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/1/10/00/1100064.cif $ #-------------------------------------------------------------------...

1,100,065

6.505

0.0003

8.5172

0.0001

12.0213

0.0001

90

null

118.72

0.07

90

null

584.1

null

4

P 1 21/c 1

-P 2ybc

14

Sodium Yttrium Boron Oxide (3/1/2/6)

- B2 Na3 O6 Y -

- B8 Na12 O24 Y4 -

4

1

Zhang, Y; Chen, X; Liang, J; Xu, T

Synthesis and structural study of new rarte earth sodium borates of Na~3~Ln(BO~2~)~3~(Ln=Y,Gd)

Journal of Alloys and Compounds

2,002

333

72

75

10.1016/S0925-8388(01)01689-9

null

0.05

null

has coordinates

Zhang, Y; Chen, X; Liang, J; Xu, T Synthesis and structural study of new rarte earth sodium borates of Na~3~Ln(BO~2~)~3~(Ln=Y,Gd) Journal of Alloys and Compounds 333 (2002) 72-75

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/1/10/00/1100065.cif $ #-------------------------------------------------------------------...

1,100,066

9.048

0.001

9.047673

null

6.704

0.001

90

null

90

null

120

null

475.29

null

3

P63/m

null

hydroxylapatite

?

- Ca8 O28 P6 -

1

null

Al2O3 - ZrO2 standard

null

0.696051

null

0.505776

null

0.717446

null

has coordinates

Al2O3 - ZrO2 standard ()

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/1/10/00/1100066.cif $ #-------------------------------------------------------------------...

1,100,067

9.0429

0.0001

9.0429

0.0001

12.5664

0.0001

90

null

90

null

120

null

889.834

0.03

null

3

R -3 c :H

-R 3 2"c

167

Strontium Boron Oxide (3/2/6)

- B2 O6 Sr3 -

- B12 O36 Sr18 -

6

0.166667

Wei, Z. F.; Chen, X. L.; Wang, F. M.; Li, W. C.; He, M.; Zhang, Y.

Phase relations in the ternary system SrO-TiO~2~-B~2~O~3~

Journal of Alloys and Compounds

2,001

327

1-2

10

13

10.1016/S0925-8388(01)01564-X

null

0.05

null

has coordinates

Wei, Z. F.; Chen, X. L.; Wang, F. M.; Li, W. C.; He, M.; Zhang, Y. Phase relations in the ternary system SrO-TiO~2~-B~2~O~3~ Journal of Alloys and Compounds 327(1-2) (2001) 10-13

301,773

2025-08-18

12:42:41

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100067.cif $ #-------------------------------------------------------------------...

1,100,068

10.747

0.001

10.747

0.001

7.8678

0.0009

90

0

90

0

120

0

787

0.3

150

2

150

2

null

heated at 1000C for 24 hours; cooled to room temperature at 1C/hour

3

P 63 m c

P 6c -2c

186

strontium oxide iodide

- I6 O Sr4 -

- I12 O2 Sr8 -

2

0.166667

Barker, Marten G.; Francesconi, M. Grazia; Shutt, Thomas H.; Wilson, Claire

Strontium oxide iodide

Acta Crystallographica, Section E: Structure Reports Online

2,001

57

6

i44

i45

10.1107/s1600536801006626

0.71069

MoKα

0.0429

0.0297

null

0.0522

0.0548

null

0.937

2,200,256

null

has coordinates

Barker, Marten G.; Francesconi, M. Grazia; Shutt, Thomas H.; Wilson, Claire Strontium oxide iodide Acta Crystallographica, Section E: Structure Reports Online 57(6) (2001) i44-i45

210,325

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-09-01 23:18:15 +0300 (Sat, 01 Sep 2018) $ #$Revision: 210325 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100068.cif $ #-------------------------------------------------------------------...

1,100,069

6.819

0.002

6.747

0.002

6.506

0.002

94.23

0.02

96.76

0.02

101.72

0.02

289.6

null

4

P -1

-P 1

2

Magnesium dithionate hexahydrate

- H12 Mg O12 S2 -

1

0.5

Black, W H; Griffith, E A H; Robertson, B E

M S~2~ O~6~ (H~2~ O)~6~ (M = Mg, Ni, Zn)

Acta Crystallographica B (24,1968-38,1982)

1,975

31

615

617

10.1107/S0567740875003408

null

has coordinates

Black, W H; Griffith, E A H; Robertson, B E M S~2~ O~6~ (H~2~ O)~6~ (M = Mg, Ni, Zn) Acta Crystallographica B (24,1968-38,1982) 31 (1975) 615-617

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/1/10/00/1100069.cif $ #-------------------------------------------------------------------...

1,100,070

9.397

0.01

14.555

0.015

6.864

0.009

90

null

90

null

90

null

938.8

null

4

P n m a

-P 2ac 2n

62

Magnesium thiosulfate hexahydrate

- H12 Mg O9 S2 -

- H48 Mg4 O36 S8 -

4

0.5

Baggio, S; Amzel, L; Becka, L N

Refinement of the structure of magnesium thiosulfate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~

Acta Crystallographica B (24,1968-38,1982)

1,969

25

1650

2653

null

0.06

null

has coordinates

Baggio, S; Amzel, L; Becka, L N Refinement of the structure of magnesium thiosulfate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~ Acta Crystallographica B (24,1968-38,1982) 25 (1969) 1650-2653

186,542

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-09-13 15:04:05 +0300 (Tue, 13 Sep 2016) $ #$Revision: 186542 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100070.cif $ #-------------------------------------------------------------------...

1,100,071

5.182

0.015

7.893

0.002

6.506

0.016

90

null

90

null

90

null

266.1

null

3

C m c m

-C 2c 2

63

Magnesium sulfate

- Mg O4 S -

- Mg4 O16 S4 -

4

0.25

Rentzeperis, P J; Soldatos, C T

The Crystal Structure of the Anhydrous Magnesium Sulfate

Acta Crystallographica (1,1948-23,1967)

1,958

11

686

688

10.1107/S0365110X58001857

null

1,000,027

null

has coordinates

Rentzeperis, P J; Soldatos, C T The Crystal Structure of the Anhydrous Magnesium Sulfate Acta Crystallographica (1,1948-23,1967) 11 (1958) 686-688

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/1/10/00/1100071.cif $ #-------------------------------------------------------------------...

1,100,072

9.32

0.01

14.36

0.04

6.87

0.01

90

null

90

null

90

null

919.4

null

4

P n m a

-P 2ac 2n

62

Magnesium thiosulfate hexahydrate

- H12 Mg O9 S2 -

- H48 Mg4 O36 S8 -

4

0.5

Nardelli, M; Fava, G; Giraldi, G

The Crystal Structure of Magnesium Thiosulphate Hexahydrate

Acta Crystallographica (1,1948-23,1967)

1,962

15

227

231

10.1107/S0365110X62000560

null

0.116

null

has coordinates

Nardelli, M; Fava, G; Giraldi, G The Crystal Structure of Magnesium Thiosulphate Hexahydrate Acta Crystallographica (1,1948-23,1967) 15 (1962) 227-231

301,773

2025-08-18

12:42:41

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100072.cif $ #-------------------------------------------------------------------...

1,100,073

9.405

0.004

14.449

0.004

6.866

0.004

90

null

90

null

90

null

933

null

4

P n m a

-P 2ac 2n

62

Magnesium thiosulfate hexahydrate

- H12 Mg O9 S2 -

- H48 Mg4 O36 S8 -

4

0.5

Elerman, Y; Fuess, H; Joswig, W

Hydrogen Bonding in Magnesium Thiosulphate Hexahydrate Mg S~2~ O~3~ (H~2~ O)~6~. A Neutron Diffraction Study

Acta Crystallographica B (24,1968-38,1982)

1,982

38

1799

1801

10.1107/S0567740882007225

null

has coordinates

Elerman, Y; Fuess, H; Joswig, W Hydrogen Bonding in Magnesium Thiosulphate Hexahydrate Mg S~2~ O~3~ (H~2~ O)~6~. A Neutron Diffraction Study Acta Crystallographica B (24,1968-38,1982) 38 (1982) 1799-1801

130,149

2020-10-21

18:00:00

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7,015,154

40.74

0.002

18.3113

0.001

11.825

0.0007

90

null

100.677

0.002

90

null

8,668.8

0.8

100

2

100

2

null

6

C 1 2/c 1

-C 2yc

15

- C26 H24 N6 Ni O2 S2 -

- C312 H288 N72 Ni12 O24 S24 -

12

1.5

Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu

Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.

Dalton transactions (Cambridge, England : 2003)

2,011

40

13

3219

3228

10.1039/c0dt01291b

0.71073

MoKα

0.0364

0.0296

null

0.0746

0.0766

null

1.074

null

has coordinates

Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes. ...

179,855

2020-10-21

18:00:00

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1,100,074

9.304

0.003

14.447

0.003

6.847

0.003

90

null

90

null

90

null

920.3

null

4

P n m a

-P 2ac 2n

62

Magnesium thiosulfate hexahydrate

- H12 Mg O9 S2 -

- H48 Mg4 O36 S8 -

4

0.5

Elerman, Y; Fuess, H; Joswig, W

Hydrogen Bonding in Magnesium Thiosulphate Hexahydrate Mg S~2~ O~3~ (H~2~ O)~6~. A Neutron Diffraction Study

Acta Crystallographica B (24,1968-38,1982)

1,982

38

1799

1801

10.1107/S0567740882007225

null

has coordinates

Elerman, Y; Fuess, H; Joswig, W Hydrogen Bonding in Magnesium Thiosulphate Hexahydrate Mg S~2~ O~3~ (H~2~ O)~6~. A Neutron Diffraction Study Acta Crystallographica B (24,1968-38,1982) 38 (1982) 1799-1801

130,149

2020-10-21

18:00:00

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1,100,075

5.242

0.001

5.242

0.001

12.995

0.003

90

null

90

null

90

null

357.1

null

4

I 41/a m d :2

-I 4bd 2

141

Magnesium hydroxide sulfate hydrate (1.3/.7/1/.3)

- H1.3332 Mg1.3333 O4.9999 S -

- H1.3332 Mg1.332 O5 S -

- H5.3328 Mg5.328 O20 S4 -

4

0.125

Keefer, K D; Hochella, M F jr.; de Jong, B H W S

The Structure of the Magnesium Hydroxide Sulfate Hydrate Mg S O~4~ (Mg (O H)~2~)~.3333~ (H~2~ O)~.3333~

Acta Crystallographica B (24,1968-38,1982)

1,981

37

1003

1006

10.1107/S0567740881004949

null

0.041

null

has coordinates

Keefer, K D; Hochella, M F jr.; de Jong, B H W S The Structure of the Magnesium Hydroxide Sulfate Hydrate Mg S O~4~ (Mg (O H)~2~)~.3333~ (H~2~ O)~.3333~ Acta Crystallographica B (24,1968-38,1982) 37 (1981) 1003-1006

176,729

2020-10-21

18:00:00

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1,100,076

4.742

null

8.575

null

6.699

null

90

null

90

null

90

null

272.4

null

3

P b n m

-P 2c 2ab

62

Magnesium sulfate - β

- Mg O4 S -

- Mg4 O16 S4 -

4

0.5

Coing-Boyat, J.

Structure de la forme hautes temperatures du sulfate anhydre de magnesium, β-MgSO~4~

Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences

1,962

255

1962

1964

null

0.144

null

has coordinates

Coing-Boyat, J. Structure de la forme hautes temperatures du sulfate anhydre de magnesium, β-MgSO~4~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 255 (1962) 1962-1964

200,088

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-02 00:54:18 +0300 (Sat, 02 Sep 2017) $ #$Revision: 200088 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100076.cif $ #-------------------------------------------------------------------...

1,100,077

9.397

0.01

14.455

0.015

6.864

0.009

90

null

90

null

90

null

932.4

null

4

P n m a

-P 2ac 2n

62

Magnesium thiosulfate hexahydrate

- H12 Mg O9 S2 -

- H48 Mg4 O36 S8 -

4

0.5

Baggio, S; Amzel, L M; Becka, L N

Refinement of the structure of magnesium thiosulphate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~

Acta Crystallographica B (24,1968-38,1982)

1,969

25

2650

2653

10.1107/S0567740869006200

null

has coordinates

Baggio, S; Amzel, L M; Becka, L N Refinement of the structure of magnesium thiosulphate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~ Acta Crystallographica B (24,1968-38,1982) 25 (1969) 2650-2653

130,149

2020-10-21

18:00:00

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1,100,078

9.324

0.002

14.461

0.004

6.862

0.001

90

null

90

null

90

null

925.2

null

4

P n m a

-P 2ac 2n

62

Magnesium thiosulfate hexahydrate

- H12 Mg O9 S2 -

- H48 Mg4 O36 S8 -

4

0.5

Elerman, Y; Bats, J W; Fuess, H

Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O

Acta Crystallographica C (39,1983-)

1,983

39

515

518

null

has coordinates

Elerman, Y; Bats, J W; Fuess, H Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O Acta Crystallographica C (39,1983-) 39 (1983) 515-518

130,149

2020-10-21

18:00:00

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1,100,079

9.324

0.002

14.461

0.004

6.862

0.001

90

null

90

null

90

null

925.2

null

4

P n m a

-P 2ac 2n

62

Magnesium thiosulfate hexahydrate

- H12 Mg O9 S2 -

- H48 Mg4 O36 S8 -

4

0.5

Elerman, Y; Bats, J W; Fuess, H

Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O

Acta Crystallographica C (39,1983-)

1,983

39

515

518

null

has coordinates

Elerman, Y; Bats, J W; Fuess, H Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O Acta Crystallographica C (39,1983-) 39 (1983) 515-518

130,149

2020-10-21

18:00:00

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1,100,080

5.933

0.002

5.933

0.002

5.933

0.002

96.28

0.02

96.28

0.02

96.28

0.02

204.8

null

4

R 3 :R

P 3*

146

Magnesium sulfate(IV) hexahydrate

- H12 Mg O9 S -

1

0.333333

Anderson, L.; Lindquist, O.

Neutron Diffraction Refinement of Magnesium Sulfite Hexahydrate, MgSO~3~.(H~2~O)~6~

Acta Crystallographica, Section C: Crystal Structure Communications

1,984

40

4

584

586

10.1107/S0108270184004972

null

0.036

null

has coordinates

Anderson, L.; Lindquist, O. Neutron Diffraction Refinement of Magnesium Sulfite Hexahydrate, MgSO~3~.(H~2~O)~6~ Acta Crystallographica, Section C: Crystal Structure Communications 40(4) (1984) 584-586

184,397

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-07-12 10:41:42 +0300 (Tue, 12 Jul 2016) $ #$Revision: 184397 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100080.cif $ #-------------------------------------------------------------------...

1,100,081

5.911

0.001

5.911

0.001

5.911

0.001

96.25

0.02

96.25

0.02

96.25

0.02

202.6

null

4

R 3 :R

P 3*

146

Magnesium sulfite hexahydrate

- H12 Mg O9 S -

1

0.333333

Bats, J W; Fuess, H; Elerman, Y

Deformation density in magnesium sulfite hexahydrate.

Acta Crystallographica B (39,1983-)

1,986

42

552

557

null

0.038

null

has coordinates

Bats, J W; Fuess, H; Elerman, Y Deformation density in magnesium sulfite hexahydrate. Acta Crystallographica B (39,1983-) 42 (1986) 552-557

186,542

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-09-13 15:04:05 +0300 (Tue, 13 Sep 2016) $ #$Revision: 186542 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100081.cif $ #-------------------------------------------------------------------...

1,100,082

5.911

0.001

5.911

0.001

5.911

0.001

96.25

0.02

96.25

0.02

96.25

0.02

202.6

null

4

R 3 :R

P 3*

146

Magnesium sulfite hexahydrate

- H12 Mg O9 S -

1

0.333333

Bats, J. W.; Fuess, H.; Elerman, Y.

Deformation density in magnesium sulfite hexahydrate

Acta Crystallographica B (39,1983-)

1,986

42

6

552

557

10.1107/S0108768186097719

null

0.018

null

has coordinates

Bats, J. W.; Fuess, H.; Elerman, Y. Deformation density in magnesium sulfite hexahydrate Acta Crystallographica B (39,1983-) 42(6) (1986) 552-557

301,773

2025-08-18

12:42:41

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100082.cif $ #-------------------------------------------------------------------...

1,100,083

5.911

0.001

5.911

0.001

5.911

0.001

96.25

0.02

96.25

0.02

96.25

0.02

202.6

null

4

R 3 :R

P 3*

146

Magnesium sulfite hexahydrate

- H12 Mg O9 S -

1

0.333333

Bats, J. W.; Fuess, H.; Elerman, Y.

Deformation density in magnesium sulfite hexahydrate

Acta Crystallographica B (39,1983-)

1,986

42

6

552

557

10.1107/S0108768186097719

null

0.017

null

has coordinates

Bats, J. W.; Fuess, H.; Elerman, Y. Deformation density in magnesium sulfite hexahydrate Acta Crystallographica B (39,1983-) 42(6) (1986) 552-557

301,773

2025-08-18

12:42:41

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100083.cif $ #-------------------------------------------------------------------...

1,100,084

7.299

0.006

8.273

0.008

4.94

0.003

90

null

99.9

0.06

90

null

293.9

null

4

P 1 21/n 1

-P 2yn

14

Magnesium bis(hydrogensulfate)

- H2 Mg O8 S2 -

- H4 Mg2 O16 S4 -

2

0.5

Simonov, M A; Troyanov, S I; Kemnitz, E; Haas, D; Kammler, M

Crystal structure of Mg (H S O~4~)~2~

Kristallografiya

1,986

31

1220

1221

null

0.03

null

has coordinates

Simonov, M A; Troyanov, S I; Kemnitz, E; Haas, D; Kammler, M Crystal structure of Mg (H S O~4~)~2~ Kristallografiya 31 (1986) 1220-1221

130,149

2020-10-21

18:00:00

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1,100,085

5.091

0.004

15.329

0.006

7.882

0.006

90

null

104.19

0.06

90

null

596.3

null

4

P 1 21/c 1

-P 2ybc

14

Magnesium bis(hydrogensulfate) bis(sulfuric acid)

- H6 Mg O16 S4 -

- H12 Mg2 O32 S8 -

2

0.5

Troyanov, S I; Merinov, B V; Verin, I P; Kemnitz, E; Hass, D

Crystal structure of acid magnesium sulphate Mg:SO~3~(OH):~2~:SO~2~(OH)~2~:~2~

Kristallografiya

1,990

35

852

855

null

0.061

null

has coordinates

Troyanov, S I; Merinov, B V; Verin, I P; Kemnitz, E; Hass, D Crystal structure of acid magnesium sulphate Mg:SO~3~(OH):~2~:SO~2~(OH)~2~:~2~ Kristallografiya 35 (1990) 852-855

130,149

2020-10-21

18:00:00

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1,100,086

8.623

0.002

5.014

0.001

15.428

0.003

90

null

101.33

0.02

90

null

654

null

4

P 1 21/n 1

-P 2yn

14

Magnesium hydrogensulfate hydrate

- H4 Mg O9 S2 -

- H16 Mg4 O36 S8 -

4

1

Worzala, H; Schneider, M; Kemnitz, E; Trojanov, S I

Ueber die Bildung und Kristallstruktur von Mg(HSO~4~)~2~ * H~2~O

Zeitschrift fuer Anorganische und Allgemeine Chemie

1,991

596

167

171

10.1002/zaac.19915960122

null

0.04

null

has coordinates

Worzala, H; Schneider, M; Kemnitz, E; Trojanov, S I Ueber die Bildung und Kristallstruktur von Mg(HSO~4~)~2~ * H~2~O Zeitschrift fuer Anorganische und Allgemeine Chemie 596 (1991) 167-171

130,149

2020-10-21

18:00:00

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1,100,087

6.891

null

7.624

null

7.645

null

90

null

117.683

null

90

null

355.7

null

4

C 1 2/c 1

-C 2yc

15

Magnesium sulfate hydrate

Kieserite

- H2 Mg O5 S -

- H8 Mg4 O20 S4 -

4

0.5

Bregeault, J M; Herpin, P; Manoli, J M; Pannetier, G

Affinement de la structure de la Kieserite Mg (S O4) (H2 O)

Bulletin de la Societe Chimique de France (Vol=Year)

1,970

4243

4248

null

0.057

null

has coordinates

Bregeault, J M; Herpin, P; Manoli, J M; Pannetier, G Affinement de la structure de la Kieserite Mg (S O4) (H2 O) Bulletin de la Societe Chimique de France (Vol=Year) 1970 (1970) 4243-4248

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/1/10/00/1100087.cif $ #-------------------------------------------------------------------...

1,100,088

6.886

null

7.61

null

7.63

null

90

null

117.72

null

90

null

353.9

null

4

C 1 2/c 1

-C 2yc

15

Magnesium sulfate hydrate

Kieserite

- H2 Mg O5 S -

- H3 Mg O5 S -

- H12 Mg4 O20 S4 -

4

0.5

Leonhardt, J; Weiss, R

Das Kristallgitter des Kieserits Mg S O4 H2 O

Naturwissenschaften

1,957

44

338

339

null

has coordinates

Leonhardt, J; Weiss, R Das Kristallgitter des Kieserits Mg S O4 H2 O Naturwissenschaften 44 (1957) 338-339

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/1/10/00/1100088.cif $ #-------------------------------------------------------------------...

1,100,089

11.868

0.01

11.996

0.01

6.857

0.007

90

null

90

null

90

null

976.2

null

4

P 21 21 21

P 2ac 2ab

19

Magnesium sulfate heptahydrate

Epsomite

- H14 Mg O11 S -

- H56 Mg4 O44 S4 -

4

1

Ferraris, Giovanni; Jones, Derry W.; Yerkess, Jack

Refinement of the crystal structure of magnesium sulphate heptahydrate (epsomite) by neutron diffraction

Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999)

1,973

8

816

821

10.1039/dt9730000816

null

has coordinates

Ferraris, Giovanni; Jones, Derry W.; Yerkess, Jack Refinement of the crystal structure of magnesium sulphate heptahydrate (epsomite) by neutron diffraction Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999) 1973(8) (1973) 816-821

200,381

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-09 03:17:55 +0300 (Sat, 09 Sep 2017) $ #$Revision: 200381 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100089.cif $ #-------------------------------------------------------------------...

1,100,090

5.922

0.006

13.604

0.004

7.905

0.005

90

null

90.85

0.17

90

null

636.8

null

4

P 1 21/n 1

-P 2yn

14

Magnesium sulfate tetrahydrate

Starkeyite

- H8 Mg O8 S -

- H32 Mg4 O32 S4 -

4

1

Baur, W. H.

On the crystal chemistry of salt hydrates. II. A neutron diffraction study of MgSO~4~.4H~2~O

Acta Crystallographica

1,964

17

7

863

869

10.1107/S0365110X64002304

null

0.086

null

has coordinates

Baur, W. H. On the crystal chemistry of salt hydrates. II. A neutron diffraction study of MgSO~4~.4H~2~O Acta Crystallographica 17(7) (1964) 863-869

200,382

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-09 03:29:59 +0300 (Sat, 09 Sep 2017) $ #$Revision: 200382 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100090.cif $ #-------------------------------------------------------------------...

1,100,091

11.868

0.01

11.996

0.01

6.857

0.007

90

null

90

null

90

null

976.2

null

4

P 21 21 21

P 2ac 2ab

19

Magnesium sulfate heptahydrate

Epsomite

- H14 Mg O11 S -

- H56 Mg4 O44 S4 -

4

1

Baur, W H

On the Crystal Chemistry of Salt Hydrates. IV. The Refinement of the Crystal Structure of Mg S O4 (H2 O)7 (Epsomite)

Acta Crystallographica (1,1948-23,1967)

1,964

17

1361

1369

10.1107/S0365110X64003449

null

0.057

null

has coordinates

Baur, W H On the Crystal Chemistry of Salt Hydrates. IV. The Refinement of the Crystal Structure of Mg S O4 (H2 O)7 (Epsomite) Acta Crystallographica (1,1948-23,1967) 17 (1964) 1361-1369

186,542

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-09-13 15:04:05 +0300 (Tue, 13 Sep 2016) $ #$Revision: 186542 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100091.cif $ #-------------------------------------------------------------------...

1,100,092

6.891

null

7.624

null

7.645

null

90

null

117.68

null

90

null

355.7

null

4

C 1 2/c 1

-C 2yc

15

Magnesium sulfate hydrate

Kieserite

?

- H4 Mg O5 S -

- H16 Mg4 O20 S4 -

4

0.5

Bregeault, J M; Herpin, P; Coing-Boyat, J

Bulletin de la Societe Chimique de France (Vol=Year)

1,972

2247

2250

null

0.048

null

has coordinates

Bregeault, J M; Herpin, P; Coing-Boyat, J Bulletin de la Societe Chimique de France (Vol=Year) 1972 (1972) 2247-2250

130,149

2020-10-21

18:00:00

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1,100,093

6.891

null

7.624

null

7.549

null

90

null

116.25

null

90

null

355.7

null

4

C 1 2/c 1

-C 2yc

15

Magnesium sulfate hydrate

Kieserite

?

- H4 Mg O5 S -

- H16 Mg4 O20 S4 -

4

0.5

Coing-Boyat, J

Bulletin de la Societe Chimique de France (Vol=Year)

1,971

3863

3865

null

0.058

null

has coordinates

Coing-Boyat, J Bulletin de la Societe Chimique de France (Vol=Year) 1971 (1971) 3863-3865

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/1/10/00/1100093.cif $ #-------------------------------------------------------------------...

1,100,094

6.891

0.002

7.624

0.002

7.645

0.002

90

null

117.7

0.02

90

null

355.6

null

4

C 1 2/c 1

-C 2yc

15

Magnesium sulfate hydrate

Kieserite

?

- H4 Mg O5 S -

- H16 Mg4 O20 S4 -

4

0.5

Hawthorne, F C; Groat, L A; Raudsepp, M; Ercit, T S

Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)

1,987

157

121

132

null

has coordinates

Hawthorne, F C; Groat, L A; Raudsepp, M; Ercit, T S Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-) 157 (1987) 121-132

130,149

2020-10-21

18:00:00

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1,100,095

15.895

0.001

3.105

0.001

13.367

0.001

90

null

90

null

90

null

659.7

null

4

C c m m

-C 2c 2c

63

Hexamagnesium dihydrogensulfate hydroxide

- H14 Mg6 O16 S -

- H28 Mg12 O32 S2 -

2

0.125

Hamada, E.; Ishizawa, N.; Marumo, F.; Ohsumi, K.; Shimizugawa, Y.; Reizen, K.; Matsunami, T.

Structure of Mg~6~SO~2~(OH)~14~ determined by micro single-crystal X-ray diffraction

Acta Crystallographica B (39,1983-)

1,996

52

2

266

269

10.1107/S0108768195014443

null

0.073

null

has coordinates

Hamada, E.; Ishizawa, N.; Marumo, F.; Ohsumi, K.; Shimizugawa, Y.; Reizen, K.; Matsunami, T. Structure of Mg~6~SO~2~(OH)~14~ determined by micro single-crystal X-ray diffraction Acta Crystallographica B (39,1983-) 52(2) (1996) 266-269

188,422

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-11-14 04:19:24 +0200 (Mon, 14 Nov 2016) $ #$Revision: 188422 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100095.cif $ #-------------------------------------------------------------------...

1,100,096

6.314

0.005

10.565

0.018

6.03

0.006

81.12

0.2

109.82

0.2

105.08

0.05

364.4

null

4

P -1

-P 1

2

Magnesium sulfate(VI) pentahydrate

Pentahydrite

- H10 Mg O9 S -

- H20 Mg2 O18 S2 -

2

1

Baur, W. H.; Rolin, J. L.

Salt hydrates. IX. The comparison of the crystal structure of magnesium sulfate pentahydrate with copper sulfate pentahydrate and magnesium chromate pentahydrate

Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry

1,972

28

5

1448

1455

10.1107/S0567740872004443

null

0.057

null

has coordinates

Baur, W. H.; Rolin, J. L. Salt hydrates. IX. The comparison of the crystal structure of magnesium sulfate pentahydrate with copper sulfate pentahydrate and magnesium chromate pentahydrate Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 28(5) (1972) 1448-1455

278,162

2022-09-26

15:31:18

#------------------------------------------------------------------------------ #$Date: 2022-09-26 01:39:39 +0300 (Mon, 26 Sep 2022) $ #$Revision: 278162 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100096.cif $ #-------------------------------------------------------------------...

1,100,097

5.922

0.006

13.604

0.004

7.905

0.005

90

null

90.85

0.17

90

null

636.8

null

Synthetic

4

P 1 21/n 1

-P 2yn

14

Magnesium sulfate(VI) tetrahydrate

Starkeyite

- H8 Mg O8 S -

- H32 Mg4 O32 S4 -

4

1

Baur, W. H.

Zur Kristallchemie der Salzhydrate. Die Kristallstrukturen von MgSO~4~.4H~2~O (leonhardtit) und FeSO~4~.4H~2~O (rozenit)

Acta Crystallographica

1,962

15

9

815

826

10.1107/S0365110X62002200

null

0.078

null

has coordinates

Baur, W. H. Zur Kristallchemie der Salzhydrate. Die Kristallstrukturen von MgSO~4~.4H~2~O (leonhardtit) und FeSO~4~.4H~2~O (rozenit) Acta Crystallographica 15(9) (1962) 815-826

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/1/10/00/1100097.cif $ #-------------------------------------------------------------------...

1,100,098

5.254

0.002

5.254

0.002

12.971

0.007

90

null

90

null

90

null

358.1

null

4

I 41/a m d :2

-I 4bd 2

141

Magnesium bis(sulfate(VI)) dihydroxide

Caminite

?

- H4 Mg3 O10 S2 -

- H8 Mg6 O20 S4 -

2

0.0625

Yamnova, N A; Pushcharovskii, D Y; Apollonov, V N

Vestnik Moskovskogo Universiteta, Geologiya

1,989

5

73

75

null

0.12

null

has coordinates

Yamnova, N A; Pushcharovskii, D Y; Apollonov, V N Vestnik Moskovskogo Universiteta, Geologiya 5 (1989) 73-75

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/1/10/00/1100098.cif $ #-------------------------------------------------------------------...

1,100,099

7.454

0.001

7.454

0.001

12.885

0.002

90

null

90

null

90

null

715.9

null

4

P 43 21 2

P 4nw 2abw

96

Trimagnesium bis(sulfate(VI)) dihydroxide

- H2 Mg3 O10 S2 -

- H3 Mg3 O10 S2 -

- H12 Mg12 O40 S8 -

4

0.5

Fleet, M. E.; Knipe, S. W.

Structure of magnesium hydroxide sulfate (2(Mg S O4) . (Mg (O H)2)) and solid solution in magnesium hydroxide sulfate hydrate and caminite

Acta Crystallographica B (39,1983-)

1,997

53

3

358

363

10.1107/S0108768197000104

null

has coordinates

Fleet, M. E.; Knipe, S. W. Structure of magnesium hydroxide sulfate (2(Mg S O4) . (Mg (O H)2)) and solid solution in magnesium hydroxide sulfate hydrate and caminite Acta Crystallographica B (39,1983-) 53(3) (1997) 358-363

188,424

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-11-14 06:39:14 +0200 (Mon, 14 Nov 2016) $ #$Revision: 188424 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/00/1100099.cif $ #-------------------------------------------------------------------...

1,100,100

10.11

0.005

7.212

0.004

24.40999

0.01

90

null

98.3

0.05

90

null

1,761.2

null

4

C 1 2/c 1

-C 2yc

15

Magnesium sulfate hexahydrate

Hexahydrite

?

- H12 Mg O10 S -

- H96 Mg8 O80 S8 -

8

1

Zalkin, A.; Ruben, H.; Templeton, D. H.

The crystal structure and hydrogen bonding of magnesium sulfate hexahydrate

Acta Crystallographica (1,1948-23,1967)

1,964

17

3

235

240

10.1107/S0365110X64000603

null

0.115

null

has coordinates

Zalkin, A.; Ruben, H.; Templeton, D. H. The crystal structure and hydrogen bonding of magnesium sulfate hexahydrate Acta Crystallographica (1,1948-23,1967) 17(3) (1964) 235-240

189,442

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-12-27 15:11:05 +0200 (Tue, 27 Dec 2016) $ #$Revision: 189442 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/01/1100100.cif $ #-------------------------------------------------------------------...

1,100,101

11.887

0.002

12.013

0.002

6.861

0.001

90

null

90

null

90

null

979.7

null

Synthetic

4

P 21 21 21

P 2ac 2ab

19

Magnesium sulfate heptahydrate

Epsomite

- H14 Mg O11 S -

- H56 Mg4 O44 S4 -

4

1

Calleri, M.; Gavetti, A.; Ivaldi, G.; Rubbo, M.

Synthetic epsomite, MgSO~4~ . 7H~2~O: absolute configuration and surface features of the complementary {111} forms

Acta Crystallographica Section B

1,984

40

3

218

222

10.1107/S0108768184002019

null

has coordinates

Calleri, M.; Gavetti, A.; Ivaldi, G.; Rubbo, M. Synthetic epsomite, MgSO~4~ . 7H~2~O: absolute configuration and surface features of the complementary {111} forms Acta Crystallographica Section B 40(3) (1984) 218-222

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/1/10/01/1100101.cif $ #-------------------------------------------------------------------...

1,100,102

4.699

0.001

12.751

0.003

5.618

0.001

90

null

90.49

0.03

90

null

336.6

null

4

P 1 21/n 1

-P 2yn

14

Magnesium sulfate(IV) hydrate

- H2 Mg O4 S -

- H Mg O4 S -

- H4 Mg4 O16 S4 -

4

1

Buchmeier, W.; Engelen, B.; Müller, H.

Kristallstruktur von MgSO~3~ * H~2~O

Zeitschrift für Naturforschung B

1,998

53

2

131

134

10.1515/znb-1998-0201

null

has coordinates

Buchmeier, W.; Engelen, B.; Müller, H. Kristallstruktur von MgSO~3~ * H~2~O Zeitschrift für Naturforschung B 53(2) (1998) 131-134

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/1/10/01/1100102.cif $ #-------------------------------------------------------------------...

1,100,103

8.83

0.001

8.83

0.001

9.075

0.001

90

null

90

null

120

null

612.8

null

4

R 3 :H

R 3

146

Magnesium sulfate(IV) hexahydrate

- H12 Mg O9 S -

- H36 Mg3 O27 S3 -

3

0.333333

Flack, H

Etude de la structure cristalline du sulfite de magnesium hexahydrate, Mg S O3 (H2 O)6

Acta Crystallographica B (24,1968-38,1982)

1,973

29

656

658

10.1107/S0567740873003110

null

0.059

null

has coordinates

Flack, H Etude de la structure cristalline du sulfite de magnesium hexahydrate, Mg S O3 (H2 O)6 Acta Crystallographica B (24,1968-38,1982) 29 (1973) 656-658

301,773

2025-08-18

12:42:41

#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/01/1100103.cif $ #-------------------------------------------------------------------...

1,100,104

7.6891

null

7.6891

null

7.6891

null

90

null

90

null

90

null

454.6

null

5

F m -3 m

null

- Co La Mn O6 Sr -

- Co4 La3.88 Mn4 O24 Sr4.112 -

null

J. Androulakis; N. Katsarakis; J. Giapintzakis; N. Vouroutzis; E. Pavlidou; K. Chrissafis; E. K. Polychroniadis; V. Perdikatsis

LaSrMnCoO6: A new cubic double perovskite oxide

Journal of Solid State Chemistry

2,003

173

350

354

10.1016/S0022-4596(03)00109-9

null

has coordinates

J. Androulakis; N. Katsarakis; J. Giapintzakis; N. Vouroutzis; E. Pavlidou; K. Chrissafis; E. K. Polychroniadis; V. Perdikatsis LaSrMnCoO6: A new cubic double perovskite oxide Journal of Solid State Chemistry 173 (2003) 350-354

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/1/10/01/1100104.cif $ #-------------------------------------------------------------------...

1,100,105

12.25

0.002

12.25

0.002

12.25

0.002

90

null

90

null

90

null

1,838.3

0.5

293

2

293

2

null

4

I a -3 d

-I 4bd 2c 3

230

- As3 Fe2 Na3 O12 -

- As24 Fe16 Na24 O96 -

8

0.083333

null

0.71073

MoKα

0.0225

0.0197

null

0.0504

0.0512

null

1.368

null

has coordinates

()

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/1/10/01/1100105.cif $ #-------------------------------------------------------------------...

1,100,106

5.411

0.004

9

0.5

10.25

0.02

90

null

100.3

0.1

90

null

491.12

null

0

C2:b1

null

Montmorillonite

?

1

null

Clay Montmorillonite

null

0.042406

null

0.063037

null

1.111

null

has coordinates

Clay Montmorillonite ()

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/1/10/01/1100106.cif $ #-------------------------------------------------------------------...

1,100,107

9.556

0.001

9.563

0.001

9.615

0.001

90

null

103.58

0.01

90

null

854.1

0.2

115

1

115

null

5

P 1 21/n 1

-P 2yn

14

AlPO~4~-15

AlPO4-15

- Al2 H9 N O11 P2 -

- Al8 H36 N4 O44 P8 -

4

1

Aubert, Emmanuel; Porcher, Florence; Souhassou, Mohamed; Lecomte, Claude

Characterization of intra-framework and guest/host interactions in the AlPO~4~-15 molecular sieve by charge-density analysis

Acta Crystallographica, Section B: Structural Science

2,003

59

6

687

700

10.1107/S0108768103017075

0.7107

MoKα

0.0102

null

0.0066

null

0.0066

null

1.652

null

1.652

2,104,014

null

has coordinates

Aubert, Emmanuel; Porcher, Florence; Souhassou, Mohamed; Lecomte, Claude Characterization of intra-framework and guest/host interactions in the AlPO~4~-15 molecular sieve by charge-density analysis Acta Crystallographica, Section B: Structural Science 59(6) (2003) 687-700

201,917

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-11 17:58:40 +0300 (Wed, 11 Oct 2017) $ #$Revision: 201917 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/01/1100107.cif $ #-------------------------------------------------------------------...

1,100,108

2.868018

null

2.868018

null

2.868018

null

90

null

90

null

90

null

23.59

null

1

Im-3m

null

alfa-Fe

- Fe -

- Fe2 -

2

null

Fe-5Al-20Ni(5to)0.1

null

0.048161

null

0.060627

null

1.17371

null

has coordinates

Fe-5Al-20Ni(5to)0.1 ()

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/1/10/01/1100108.cif $ #-------------------------------------------------------------------...

1,100,109

8.21338

null

8.26806

null

8.32806

null

90

null

90.1443

null

90

null

565.55

null

3

P 1 21/n 1

-P 2yn

14

?

- B24 H24 O24 -

null

has coordinates

()

209,172

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-07-21 16:12:36 +0300 (Sat, 21 Jul 2018) $ #$Revision: 209172 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/01/1100109.cif $ #-------------------------------------------------------------------...

1,100,110

5.10093

0.00007

5.10093

0.00007

4.4551

0.00007

90

null

90

null

120

null

100.389

0.005

295

null

295

null

5

P -6 m 2

P -6 2

187

Potassium calcium flurine-carbonate

- C Ca F K O3 -

1

0.083333

Chen, X.-L.; He, M.; Xu, Y.-P.; Li H.-Q.; Tu Q.-Y,

KCaFCO~3~, from X-ray Powder Data

Acta Crystallographica Section E

2,004

60

i50

i51

10.1107/S1600536804005069

1.54056

CuKα~1~

0.08

null

2.26

null

2,203,515

null

has coordinates

Chen, X.-L.; He, M.; Xu, Y.-P.; Li H.-Q.; Tu Q.-Y, KCaFCO~3~, from X-ray Powder Data Acta Crystallographica Section E 60 (2004) i50-i51

184,082

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-06-30 19:44:13 +0300 (Thu, 30 Jun 2016) $ #$Revision: 184082 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/01/1100110.cif $ #-------------------------------------------------------------------...

1,100,111

7.13566

null

10.3924

null

9.24771

null

90

null

92.9905

null

90

null

684.85

null

4

P 1 21/n 1

-P 2yn

14

- B12 H12 N2 O12 -

- B24 H24 N4 O24 -

2

0.5

Daniel J. Stasko; Kevin J. Perzynski; Mark A. Wasil; Julia K. Brodbeck; Kristin Kirschbaum; Yong Wah Kim; Cora Lind

An Addition to the Oxoacid Family: H2B12(OH)12

Inorganic Chemistry

2,004

43

3786

3788

10.1021/ic049564k

null

has coordinates

Daniel J. Stasko; Kevin J. Perzynski; Mark A. Wasil; Julia K. Brodbeck; Kristin Kirschbaum; Yong Wah Kim; Cora Lind An Addition to the Oxoacid Family: H2B12(OH)12 Inorganic Chemistry 43 (2004) 3786-3788

278,158

2022-09-26

15:28:11

#------------------------------------------------------------------------------ #$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $ #$Revision: 278158 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/01/1100111.cif $ #-------------------------------------------------------------------...

1,100,112

8.4171

0.0001

8.417067

null

8.417067

null

90

null

90

null

90

null

596.33

null

4

Fd-3m:1

null

Ni0,5Zn0,5Fe2O4

- Fe2 Ni0.5 O4 Zn0.5 -

1

null

0.042406

null

0.063037

null

1.16366

null

has coordinates

()

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/1/10/01/1100112.cif $ #-------------------------------------------------------------------...

1,100,113

6.3004

0.0018

12.691

0.002

12.7423

0.0014

90.966

0.014

90.515

0.012

94.351

0.019

1,015.72

null

293

null

6

P -1

-P 1

2

bis(Hexane-1,6-diammonium) hexa-fluoro-aluminium(iii) fluoride monohydrate

- C12 H38 Al F7 N4 O -

- C18 H56 Al F13 N6 O -

- C36 H112 Al2 F26 N12 O2 -

2

1

Touret, J.; Bourdon, X.; Leblanc, M.; Retoux, R.; Renaudin, J.; Maisonneuve, V.

Crystal structure of new hydroxide fluorides with isolated F- anions: [H~3~N(CH~2~)~6~NH~3~]~2~M(F, OH)~6~(F,OH)·H~2~O (M = Al, In)

Journal of Fluorine Chemistry

2,001

110

2

133

138

10.1016/s0022-1139(01)00420-1

null

0.0449

null

0.0449

null

has coordinates

Touret, J.; Bourdon, X.; Leblanc, M.; Retoux, R.; Renaudin, J.; Maisonneuve, V. Crystal structure of new hydroxide fluorides with isolated F- anions: [H~3~N(CH~2~)~6~NH~3~]~2~M(F, OH)~6~(F,OH)·H~2~O (M = Al, In) Journal of Fluorine Chemistry 110(2) (2001) 133-138

177,548

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-04 14:24:42 +0200 (Fri, 04 Mar 2016) $ #$Revision: 177548 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/01/1100113.cif $ #-------------------------------------------------------------------...

1,100,114

6.4714

0.0003

12.9203

0.0009

13.0843

0.0006

90.16

0.006

90.683

0.004

94.138

0.005

1,091.07

null

293

null

6

P -1

-P 1

2

bis(Hexane-1,6-diammonium) hexa-fluoro-indium(iii) fluoride monohydrate

- C12 H38 F7 In N4 O -

- C18 H56 F13 In N6 O -

- C36 H112 F26 In2 N12 O2 -

2

1

Touret, J.; Bourdon, X.; Leblanc, M.; Retoux, R.; Renaudin, J.; Maisonneuve, V.

Crystal structure of new hydroxide fluorides with isolated F- anions: [H~3~N(CH~2~)~6~NH~3~]~2~M(F, OH)~6~(F,OH)·H~2~O (M = Al, In)

Journal of Fluorine Chemistry

2,001

110

2

133

138

10.1016/s0022-1139(01)00420-1

null

0.0309

null

0.0309

null

has coordinates

Touret, J.; Bourdon, X.; Leblanc, M.; Retoux, R.; Renaudin, J.; Maisonneuve, V. Crystal structure of new hydroxide fluorides with isolated F- anions: [H~3~N(CH~2~)~6~NH~3~]~2~M(F, OH)~6~(F,OH)·H~2~O (M = Al, In) Journal of Fluorine Chemistry 110(2) (2001) 133-138

177,548

2020-10-21

18:00:00

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1,100,115

7.887

0.006

5.502

0.005

15.812

0.003

90

null

112.03

0.04

90

null

636.053

null

5

P 1 21 1

P 2yb

4

catena-(1,8-Octanediammonium (μ~2~-fluoro)-tetrafluoro-aluminium)

- C8 H22 Al F5 N2 -

- C16 H44 Al2 F10 N4 -

2

1

E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve

Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds

Solid State Sciences

2,002

4

1213

1219

10.1016/S1293-2558(02)01384-5

null

0.0755

null

0.0755

null

has coordinates

E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences 4 (2002) 1213-1219

176,429

2020-10-21

18:00:00

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1,100,116

7.881

0.005

5.489

0.002

18.36

0.01

90

null

112.21

0.06

90

null

735.303

null

5

P 1 21 1

P 2yb

4

catena-(1,10-Decanediammonium (μ~2~-fluoro)-tetrafluoro-aluminium)

- C10 H26 Al F5 N2 -

- C20 H52 Al2 F10 N4 -

2

1

E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve

Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds

Solid State Sciences

2,002

4

1213

1219

10.1016/S1293-2558(02)01384-5

null

0.0892

null

0.0892

null

has coordinates

E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences 4 (2002) 1213-1219

176,429

2020-10-21

18:00:00

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1,100,117

7.8713

0.0003

5.4739

0.0004

20.898

0.002

90

null

112.422

0.003

90

null

832.354

null

5

P 1 21 1

P 2yb

4

catena-(1,12-Dodecanediammonium (μ~2~-fluoro)-tetrafluoro-aluminium)

- C12 H30 Al F5 N2 -

- C24 H60 Al2 F10 N4 -

2

1

E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve

Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds

Solid State Sciences

2,002

4

1213

1219

10.1016/S1293-2558(02)01384-5

powder diffraction

null

has coordinates

E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences 4 (2002) 1213-1219

176,429

2020-10-21

18:00:00

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1,100,118

8.493

0.0008

8.932

0.001

13.434

0.002

90

null

97.141

0.008

90

null

1,011.2

0.2

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

1,4,8,11-Tetraazacyclodecane-1,4,8,11-tetraium bis(aquapentafluoroaluminate) dihydrate

- C10 H36 Al2 F10 N4 O4 -

- C20 H72 Al4 F20 N8 O8 -

2

0.5

Goreshnik, E.; Leblanc, M.; Maisonneuve, V.

1,4,8,11-Tetraazacyclodecane-1,4,8,11-tetraium bis(aquapentafluoroaluminate) dihydrate

Acta Crystallographica, Section E: Structure Reports Online

2,003

59

11

1059

1061

10.1107/S1600536803023699

0.71069

MoKα

0.1639

0.0632

null

0.1198

0.1508

null

1.094

null

has coordinates

Goreshnik, E.; Leblanc, M.; Maisonneuve, V. 1,4,8,11-Tetraazacyclodecane-1,4,8,11-tetraium bis(aquapentafluoroaluminate) dihydrate Acta Crystallographica, Section E: Structure Reports Online 59(11) (2003) 1059-1061

297,521

2025-01-29

7:25:19

#------------------------------------------------------------------------------ #$Date: 2025-01-29 09:25:17 +0200 (Wed, 29 Jan 2025) $ #$Revision: 297521 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/01/1100118.cif $ #-------------------------------------------------------------------...

1,100,119

7.6996

0.0016

8.838

0.002

12.197

0.004

105.87

0.02

97.74

0.03

106.317

0.015

745.8

0.4

293

2

293

2

null

6

P -1

-P 1

2

[HN(CH2CH2NH3)3].(Al2F10).H2O

- C6 H24 Al2 F10 N4 O -

- C12 H48 Al4 F20 N8 O2 -

2

1

K. Adil; M. Leblanc; V. Maisonneuve

[H~4~tren].(Al~2~F~10~).H~2~O

Acta Crystallographica, Section E

2,004

60

10

m1379

m1381

10.1107/S1600536804020203

0.71069

MoKα

0.0749

0.0432

null

0.1075

0.1233

null

1.053

null

has coordinates

K. Adil; M. Leblanc; V. Maisonneuve [H~4~tren].(Al~2~F~10~).H~2~O Acta Crystallographica, Section E 60(10) (2004) m1379-m1381

277,833

2022-09-14

15:22:10

#------------------------------------------------------------------------------ #$Date: 2022-09-14 18:21:52 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277833 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/01/1100119.cif $ #-------------------------------------------------------------------...

1,100,120

6.6226

0.0006

11.494

0.002

9.021

0.002

90

null

90

null

90

null

686.68

null

5

P b c a

-P 2ac 2ab

61

Dibarium Cobalt Dicarbonate Difluoride

- C2 Ba2 Co F2 O6 -

- C8 Ba8 Co4 F8 O24 -

4

0.5

Ben Ali, A.; Maisonneuve, V.; Kodjikian, S.; Smiri, L. S.; Leblanc, M.

Synthesis, crystal structure and magnetic properties of a new fluoride carbonate Ba~2~Co(CO~3~)~2~F~2~

Solid State Sciences

2,002

4

503

506

10.1016/S1293-2558(02)01274-8

null

0.034

null

has coordinates

Ben Ali, A.; Maisonneuve, V.; Kodjikian, S.; Smiri, L. S.; Leblanc, M. Synthesis, crystal structure and magnetic properties of a new fluoride carbonate Ba~2~Co(CO~3~)~2~F~2~ Solid State Sciences 4(4) (2002) 503-506

176,429

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/01/1100120.cif $ #-------------------------------------------------------------------...

1,100,121

4.912

0.0008

4.912

0.0008

9.919

0.001

90

null

90

null

120

null

207.26

null

5

P 63/m

-P 6c

176

Barium Manganese Carbonate Difluoride

- C Ba F2 Mn O3 -

- C2 Ba2 F4 Mn2 O6 -

2

0.166667

Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M.

Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2

Solid State Sciences

2,002

4

7

891

894

10.1016/S1293-2558(02)01339-0

null

0.019

null

has coordinates

Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M. Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2 Solid State Sciences 4(7) (2002) 891-894

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/1/10/01/1100121.cif $ #-------------------------------------------------------------------...

1,100,122

4.8523

0.0008

4.8523

0.0008

9.854

0.001

90

null

90

null

120

null

200.93

null

5

P 63/m

-P 6c

176

Barium Zinc Carbonate Difluoride

- C Ba F2 O3 Zn -

- C2 Ba2 F4 O6 Zn2 -

2

0.166667

Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M.

Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2

Solid State Sciences

2,002

4

7

891

894

10.1016/S1293-2558(02)01339-0

null

0.016

null

has coordinates

Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M. Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2 Solid State Sciences 4(7) (2002) 891-894

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/1/10/01/1100122.cif $ #-------------------------------------------------------------------...

1,100,123

6.15

0.003

12.32

0.05

14.549

0.014

91.7

0.2

90.51

0.04

93.21

0.07

1,100.07

null

293

null

4

P -1

-P 1

2

(7R*,8R*,10R*)-(±)-10-Benzyloxymethyl-8-t-butoxy-7-iodo-1-oxacyclodecan-2-one

- C21 H31 I O4 -

- C42 H62 I2 O8 -

2

1

A. Martel; V. Maisonneuve; E. Brown; G. Dujardin

Synthesis

2,003

null

4

539

544

10.1055/s-2003-37657

null

0.1189

null

0.1189

null

has coordinates

A. Martel; V. Maisonneuve; E. Brown; G. Dujardin Synthesis (issue 4) (2003) 539-544

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/1/10/01/1100123.cif $ #-------------------------------------------------------------------...

1,100,124

7.78

null

11.326

null

17.873

null

90.61

null

96.13

null

103.19

null

1,523.6

null

173

2

173

2

null

5

P -1

-P 1

2

- C26 H22 N9 O11 Pr -

- C25 H23 N9 O13 Pr -

- C50 H46 N18 O26 Pr2 -

2

1

null

0.7107

MoKα

0.0291

0.0264

null

0.0615

0.0648

null

1.12

null

has coordinates

()

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/1/10/01/1100124.cif $ #-------------------------------------------------------------------...

1,100,125

8.38

null

10.7

null

5.11

null

90

null

90

null

90

null

458.2

null

from Altenberg, Harz, Germany

4

I m m 2

I 2 -2

44

Tetrazinc dihydroxide hydrate disilicate *

Hemimorphite

- H4 O10 Si2 Zn4 -

- H5 O10 Si2 Zn4 -

- H10 O20 Si4 Zn8 -

2

0.25

Ito, T; West, J

The Structure of Hemimorphite (H2 Zn2 Si O5)

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

1,932

83

1

8

null

1,011,257

null

has coordinates

Ito, T; West, J The Structure of Hemimorphite (H2 Zn2 Si O5) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 83 (1932) 1-8

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/1/10/01/1100125.cif $ #-------------------------------------------------------------------...

1,100,126

7.6887

0.0003

7.6887

0.0003

28.87

0.001

90

null

90

null

120

null

1,478.03

null

4

R -3 m :H

-R 3 2"

166

Dipotassium Trizirconium Oxide Dodecafluoride

- F12 K2 O Zr3 -

- F72 K12 O6 Zr18 -

6

0.166667

Saada, M.A.; Hemon-Ribaud, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M.

K2 Zr3 O F12: microwave-assisted hydrothermal synthesis and powder diffraction study

Acta Crystallographica E, Structure Reports Online

2,003

59

9

i131

i133

10.1107/S1600536803018567

null

0.057

null

has coordinates

Saada, M.A.; Hemon-Ribaud, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M. K2 Zr3 O F12: microwave-assisted hydrothermal synthesis and powder diffraction study Acta Crystallographica E, Structure Reports Online 59(9) (2003) i131-i133

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/1/10/01/1100126.cif $ #-------------------------------------------------------------------...

1,100,127

17.44

0.006

6.1003

0.0017

11.2366

0.0014

90

null

95.64

0.03

90

null

1,189.67

null

5

C 1 2/c 1

-C 2yc

15

Disodium Ytterbium Dicarbonate Fluoride

- C2 F Na2 O6 Yb -

- C16 F8 Na16 O48 Yb8 -

8

1

Ben Ali, A.; Maisonneuve, V.; Leblanc, M.

Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2

Solid State Sciences

2,002

4

11-12

1367

1375

10.1016/S1293-2558(02)00024-9

null

0.034

null

has coordinates

Ben Ali, A.; Maisonneuve, V.; Leblanc, M. Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2 Solid State Sciences 4(11-12) (2002) 1367-1375

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/1/10/01/1100127.cif $ #-------------------------------------------------------------------...

1,100,128

7.127

0.002

29.816

0.009

6.928

0.0004

90

null

112.56

0.03

90

null

1,359.54

null

5

C 1 c 1

C -2yc

9

Trisodium Ytterbium Dicarbonate Difluoride

- C2 F2 Na3 O6 Yb -

- C16 F16 Na24 O48 Yb8 -

8

2

Ben Ali, A.; Maisonneuve, V.; Leblanc, M.

Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2

Solid State Sciences

2,002

4

11-12

1367

1375

10.1016/S1293-2558(02)00024-9

null

0.074

null

has coordinates

Ben Ali, A.; Maisonneuve, V.; Leblanc, M. Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2 Solid State Sciences 4(11-12) (2002) 1367-1375

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/1/10/01/1100128.cif $ #-------------------------------------------------------------------...

1,100,129

12.209

0.003

10.085

0.004

8.783

0.004

90

null

90.39

0.03

90

null

1,081.41

null

4

P 1 21/c 1

-P 2ybc

14

Pentasodium Yttrium Tetracarbonate

- C4 Na5 O12 Y -

- C16 Na20 O48 Y4 -

4

1

Awaleh, M.O.; Ben Ali, A.; Maisonneuve, V.; Leblanc, M.

Microwave-assisted synthesis, crystal structures and thermal behaviour of Na5 Y (C O3)4 and Na5 Yb (C O3)4 * 2(H2 O)

Journal of Alloys Compd.

2,003

349

1-2

114

120

10.1016/S0925-8388(02)00910-6

null

0.065

null

has coordinates

Awaleh, M.O.; Ben Ali, A.; Maisonneuve, V.; Leblanc, M. Microwave-assisted synthesis, crystal structures and thermal behaviour of Na5 Y (C O3)4 and Na5 Yb (C O3)4 * 2(H2 O) Journal of Alloys Compd. 349(1-2) (2003) 114-120

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/1/10/01/1100129.cif $ #-------------------------------------------------------------------...

1,100,130

7.593

0.002

7.593

0.002

11.528

0.008

90

null

90

null

90

null

664.63

null

5

P -4 21 c

P -4 2n

114

Pentasodium Ytterbium Tetracarbonate Dihydrate

- C4 H4 Na5 O14 Yb -

- C8 H8 Na10 O28 Yb2 -

2

0.25

Awaleh, M.O.; Ben Ali, A.; Maisonneuve, V.; Leblanc, M.

Microwave-assisted synthesis, crystal structures and thermal behaviour of Na5 Y (C O3)4 and Na5 Yb (C O3)4 * 2(H2 O)

Journal of Alloys Compd.

2,003

349

1-2

114

120

10.1016/S0925-8388(02)00910-6

null

0.023

null

has coordinates

Awaleh, M.O.; Ben Ali, A.; Maisonneuve, V.; Leblanc, M. Microwave-assisted synthesis, crystal structures and thermal behaviour of Na5 Y (C O3)4 and Na5 Yb (C O3)4 * 2(H2 O) Journal of Alloys Compd. 349(1-2) (2003) 114-120

186,542

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-09-13 15:04:05 +0300 (Tue, 13 Sep 2016) $ #$Revision: 186542 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/01/1100130.cif $ #-------------------------------------------------------------------...