Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9012551 | CIF | Fe Se2 | P n n m | 4.8002; 5.7823; 3.5834 90; 90; 90 | 99.462 | Kjekshus, A.; Rakke, T.; Andresen, A. Compounds of the marcasite type crystal structure. IX. Structural data for FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2 Acta Chemica Scandinavica A, 1974, 28, 996-1000 |
| 9012552 | CIF | As2 Ni | P n n m | 4.7582; 5.7949; 3.544 90; 90; 90 | 97.72 | Kjekshus, A.; Rakke, T.; Andresen, A. Compounds of the marcasite type crystal structure. IX. Structural data for FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2 Acta Chemica Scandinavica A, 1974, 28, 996-1000 |
| 9012553 | CIF | Ni Sb2 | P n n m | 5.1823; 6.3168; 3.8403 90; 90; 90 | 125.714 | Kjekshus, A.; Rakke, T.; Andresen, A. Compounds of the marcasite type crystal structure. IX. Structural data for FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2 Acta Chemica Scandinavica A, 1974, 28, 996-1000 |
| 9012554 | CIF | Cu Se2 | P n n m | 5.0226; 6.1957; 3.7468 90; 90; 90 | 116.595 | Kjekshus, A.; Rakke, T.; Andresen, A. Compounds of the marcasite type crystal structure. IX. Structural data for FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2 Acta Chemica Scandinavica A, 1974, 28, 996-1000 |
| 9012563 | CIF | H3.78 Na O4.89 V | P 1 21/a 1 | 16.756; 3.6391; 8.023 90; 111.18; 90 | 456.17 | Bjornberg, A.; Hedman, B. The crystal structure of NaVO3*1.89H2O Note: one of the H atoms could not be found Acta Chemica Scandinavica A, 1977, 31, 579-584 |
| 9012564 | CIF | C Ti | F m -3 m | 4.328; 4.328; 4.328 90; 90; 90 | 81.07 | 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 A, 1978, 32, 89-90 |
| 9012565 | CIF | As2 Cr0.79 Fe0.21 | P n n m | 5.4174; 6.2433; 2.9803 90; 90; 90 | 100.801 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012566 | CIF | As2 Fe0.63 Ni0.37 | P n n m | 5.3971; 6.1893; 2.9539 90; 90; 90 | 98.673 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012567 | CIF | As2 Cr0.47 Fe0.53 | P n n m | 5.3771; 6.1368; 2.9309 90; 90; 90 | 96.714 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.53Cr.47As2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012568 | CIF | As2 Cr0.32 Fe0.68 | P n n m | 5.3544; 6.0853; 2.9112 90; 90; 90 | 94.856 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.68Cr.32As2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012569 | CIF | As2 Fe | P n n m | 5.3013; 5.9859; 2.8822 90; 90; 90 | 91.461 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: FeAs2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012570 | CIF | As2 Fe0.75 Ni0.25 | P n n m | 5.2309; 5.9555; 2.9693 90; 90; 90 | 92.501 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.75Ni.25As2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012571 | CIF | As2 Fe0.5 Ni0.5 | P n n m | 5.1377; 5.9205; 3.1077 90; 90; 90 | 94.529 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.5Ni.5As2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012572 | CIF | As2 Ni | P n n m | 4.7583; 5.7954; 3.5449 90; 90; 90 | 97.755 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: NiAs2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012573 | CIF | Cr Sb2 | P n n m | 6.0275; 6.8738; 3.2715 90; 90; 90 | 135.544 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012574 | CIF | Cr0.93 Fe0.07 Sb2 | P n n m | 6.0205; 6.8491; 3.2628 90; 90; 90 | 134.542 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012575 | CIF | Cr0.88 Fe0.12 Sb2 | P n n m | 6.0156; 6.8341; 3.2569 90; 90; 90 | 133.895 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012576 | CIF | Cr0.72 Fe0.28 Sb2 | P n n m | 5.9862; 6.781; 3.237 90; 90; 90 | 131.398 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012577 | CIF | Cr0.6 Fe0.4 Sb2 | P n n m | 5.9632; 6.7391; 3.2233 90; 90; 90 | 129.533 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012578 | CIF | Cr0.45 Fe0.55 Sb2 | P n n m | 5.9378; 6.886; 3.2147 90; 90; 90 | 131.442 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.55Cr.45Sb2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012579 | CIF | Cr0.21 Fe0.79 Sb2 | P n n m | 5.8833; 6.6072; 3.2004 90; 90; 90 | 124.406 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.79Cr.21Sb2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012580 | CIF | Fe Sb2 | P n n m | 5.8328; 6.7356; 3.1973 90; 90; 90 | 125.614 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: FeSb2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012581 | CIF | Fe0.75 Ni0.25 Sb2 | P n n m | 5.7535; 6.4928; 3.2681 90; 90; 90 | 122.084 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.75Ni.25Sb2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012582 | CIF | Fe0.5 Ni0.5 Sb2 | P n n m | 5.6417; 6.4402; 3.3855 90; 90; 90 | 123.008 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.5Ni.5Sb2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012583 | CIF | Ni Sb2 | P n n m | 5.1837; 6.3184; 3.4808 90; 90; 90 | 114.006 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: NiSb2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9012584 | CIF | As Co0.9 Ni0.1 | P n m a | 5.16; 3.54; 5.87 90; 90; 90 | 107.224 | Fjellvag, H.; Selte, K.; Stave, F. E. On the structural and magnetic properties of Co1-tNitAs and CoAs1-xSbx Acta Chemica Scandinavica A, 1984, 38, 687-691 |
| 9012585 | CIF | As0.95 Co Sb0.05 | P n m a | 5.16; 3.54; 5.87 90; 90; 90 | 107.224 | Fjellvag, H.; Selte, K.; Stave, F. E. On the structural and magnetic properties of Co1-tNitAs and CoAs1-xSbx Acta Chemica Scandinavica A, 1984, 38, 687-691 |
| 9012586 | CIF | Al0.66 B4 Fe1.475 Mg9.314 O20 Sb0.482 Ti0.069 | P b a m | 18.525; 12.272; 3.0218 90; 90; 90 | 686.972 | Alfredsson, V.; Bovin, J. O.; Norrestam, R.; Terasaki, O. The structure of the mineral chestermanite, Mg2.25Al0.16Fe0.43Ti0.02Sb0.13O2BO3. A combined single-crystal X-ray and HREM study Acta Chemica Scandinavica, 1991, 45, 797-804 |
| 9012587 | CIF | Ca O6 Ta2 | P n m a | 11.068; 7.505; 5.378 90; 90; 90 | 446.725 | Jahnberg, L. Crystal structure of orthorhombic CaTa2O6 Acta Chemica Scandinavica, 1963, 17, 2548-2559 |
| 9012588 | CIF | C | F d -3 m :1 | 3.5667; 3.5667; 3.5667 90; 90; 90 | 45.373 | Ownby, P. D.; Yang, X.; Liu, J. Calculated X-ray diffraction data for diamond polytypes Note: cubic, 3C structure Note: theoretically calculated structure values Journal of the American Ceramic Society, 1992, 75, 1876-1883 |
| 9012589 | CIF | C | P 63/m m c | 2.5221; 2.5221; 4.1186 90; 90; 120 | 22.688 | Ownby, P. D.; Yang, X.; Liu, J. Calculated X-ray diffraction data for diamond polytypes Note: hexagonal, 2H structure known as lonsdaleite Note: theoretically calculated structure values Journal of the American Ceramic Society, 1992, 75, 1876-1883 |
| 9012590 | CIF | C | P 63/m m c | 2.5221; 2.5221; 8.2371 90; 90; 120 | 45.376 | Ownby, P. D.; Yang, X.; Liu, J. Calculated X-ray diffraction data for diamond polytypes Note: hexagonal, 4H structure Note: theoretically calculated structure values Journal of the American Ceramic Society, 1992, 75, 1876-1883 |
| 9012591 | CIF | C | P 63/m m c | 2.5221; 2.5221; 12.3557 90; 90; 120 | 68.065 | Ownby, P. D.; Yang, X.; Liu, J. Calculated X-ray diffraction data for diamond polytypes Note: hexagonal, 6H structure Note: theoretically calculated structure values Journal of the American Ceramic Society, 1992, 75, 1876-1883 |
| 9012592 | CIF | C | P 63/m m c | 2.5221; 2.5221; 16.4743 90; 90; 120 | 90.753 | Ownby, P. D.; Yang, X.; Liu, J. Calculated X-ray diffraction data for diamond polytypes Note: hexagonal, 8H structure Note: theoretically calculated structure values Journal of the American Ceramic Society, 1992, 75, 1876-1883 |
| 9012593 | CIF | C | R -3 m :H | 2.5221; 2.5221; 30.8893 90; 90; 120 | 170.162 | Ownby, P. D.; Yang, X.; Liu, J. Calculated X-ray diffraction data for diamond polytypes Note: rhombohedral, 15R structure Note: theoretically calculated structure values Journal of the American Ceramic Society, 1992, 75, 1876-1883 |
| 9012594 | CIF | C | R -3 m :H | 2.5221; 2.5221; 43.245 90; 90; 120 | 238.227 | Ownby, P. D.; Yang, X.; Liu, J. Calculated X-ray diffraction data for diamond polytypes Note: rhombohedral, 21R structure Note: theoretically calculated structure values Journal of the American Ceramic Society, 1992, 75, 1876-1883 |
| 9012595 | CIF | Bi2.28 Pb0.57 Te4 | R -3 m :H | 4.45; 4.45; 41.532 90; 90; 120 | 712.252 | Zhukova, T. B.; Zaslavskii, A. I. X-ray structure determination of PbBi4Te7 Zhurnal Strukturnoi Khimii, 1970, 11, 462-468 |
| 9012596 | CIF | C2 H8 K2 Mg O10 | P 1 21/n 1 | 11.404; 6.228; 6.826 90; 99.66; 90 | 477.936 | Bucat, R. B.; Patrick, J. M.; White, A. H.; Willis, A. C. Crystal structure of baylissite, K2Mg(CO3)2,4H2O Australian Journal of Chemistry, 1977, 30, 1379-1382 |
| 9012597 | CIF | Cl5 Fe H10 N2 O | P n m a | 13.706; 9.924; 7.024 90; 90; 90 | 955.393 | Figgis, B. N.; Raston, C. L.; Sharma, R. P.; White, A. H. Crystal structure of diammonium aquapentachloroferrate(III) Australian Journal of Chemistry, 1978, 31, 2717-2720 |
| 9012598 | CIF | Ag3 Cu S2 | I 41/a m d :2 | 8.6705; 8.6705; 11.7573 90; 90; 90 | 883.885 | Baker, C. L.; Lincoln, F. J.; Johnson, W. S. Crystal structure determination of Ag3CuS2 from powder X-ray diffraction data Australian Journal of Chemistry, 1992, 45, 1441-1449 |
| 9012599 | CIF | Sb | I m -3 m | 3.45; 3.45; 3.45 90; 90; 90 | 41.064 | Aoki, K.; Fujiwara, S.; Kusakabe, M. New phase transition into the b.c.c structure in antimony at high pressure Sample: at P = 28 GPa Note: cell parameters from ICSD Note: phase known as Sb(IV) Solid State Communications, 1983, 45, 161-163 |
| 9012600 | CIF | O2 Si | P 31 2 1 | 4.914; 4.914; 5.406 90; 90; 120 | 113.052 | Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K. High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 1 bar Solid State Communications, 1989, 72, 507-511 |
| 9012601 | CIF | O2 Si | P 31 2 1 | 4.812; 4.812; 5.327 90; 90; 120 | 106.823 | Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K. High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 2.0 Gpa Solid State Communications, 1989, 72, 507-511 |
| 9012602 | CIF | O2 Si | P 31 2 1 | 4.705; 4.705; 5.25 90; 90; 120 | 100.649 | Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K. High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 5.1 GPa Solid State Communications, 1989, 72, 507-511 |
| 9012603 | CIF | O2 Si | P 31 2 1 | 4.625; 4.625; 5.216 90; 90; 120 | 96.625 | Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K. High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 8.0 GPa Solid State Communications, 1989, 72, 507-511 |
| 9012604 | CIF | O2 Si | P 31 2 1 | 4.594; 4.594; 5.2 90; 90; 120 | 95.042 | Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K. High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 9.5 GPa Solid State Communications, 1989, 72, 507-511 |
| 9012605 | CIF | O2 Si | P 31 2 1 | 4.535; 4.535; 5.17 90; 90; 120 | 92.082 | Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K. High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 12.5 GPa Solid State Communications, 1989, 72, 507-511 |
| 9012607 | CIF | Ag0.06 Cu9.9 Fe0.06 S13 Sb3.88 Zn1.86 | I -4 3 m | 10.382; 10.382; 10.382 90; 90; 90 | 1119.03 | Rozhdestvenskaya, I. V.; Zayakina, N. V.; Samusikov, V. P. Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 1 Mineralogiceskij Zhurnal, 1993, 15, 9-17 |
| 9012608 | CIF | Ag2.88 Cu7.02 Fe0.84 S13 Sb4 Zn1.26 | I -4 3 m | 10.529; 10.529; 10.529 90; 90; 90 | 1167.24 | Rozhdestvenskaya, I. V.; Zayakina, N. V.; Samusikov, V. P. Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 2 Mineralogiceskij Zhurnal, 1993, 15, 9-17 |
| 9012609 | CIF | Ag3.54 Cu6.3 Fe0.72 S13 Sb4 Zn1.44 | I -4 3 m | 10.576; 10.576; 10.576 90; 90; 90 | 1182.94 | Rozhdestvenskaya, I. V.; Zayakina, N. V.; Samusikov, V. P. Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 3 Mineralogiceskij Zhurnal, 1993, 15, 9-17 |
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