Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9017358 | CIF | C Fe0.06 Mg0.01 Mn0.93 O3 | R -3 c :H | 4.7682; 4.7682; 15.6354 90; 90; 120 | 307.857 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
| 9017359 | CIF | C Ca0.99 Mg0.01 O3 | R -3 c :H | 4.9896; 4.9896; 17.061 90; 90; 120 | 367.846 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
| 9017360 | CIF | C Fe0.01 Mg0.99 O3 | R -3 c :H | 4.6328; 4.6328; 15.0129 90; 90; 120 | 279.05 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
| 9017361 | CIF | C Fe0.95 Mn0.05 O3 | R -3 c :H | 4.6916; 4.6916; 15.3796 90; 90; 120 | 293.169 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
| 9017362 | CIF | Al H24 N O12 Os8 S2 | P a -3 | 12.242; 12.242; 12.242 90; 90; 90 | 1834.67 | Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A. X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: X-ray data Zeitschrift fur Kristallographie, 1981, 157, 147-166 |
| 9017363 | CIF | O34 Si17 | P 6/m m m | 13.783; 13.783; 11.19 90; 90; 120 | 1840.98 | Gerke, H.; Gies, H. Studies on clathrasils. IV. Crystal structure of dodecasil 1H, a synthetic clathrate compound of silica Zeitschrift fur Kristallographie, 1984, 166, 11-22 |
| 9017364 | CIF | Al3.71 Ca1.72 Na0.28 O16 Si4.29 | P -1 | 8.188; 12.822; 14.196 93.37; 116.04; 90.87 | 1335.38 | Chiari, G.; Benna, P.; Bruno, E. The structure of bytownite (An85). A new refinement Zeitschrift fur Kristallographie, 1984, 169, 35-49 |
| 9017365 | CIF | Al3.71 Ca1.72 Na0.28 O16 Si4.29 | I -1 | 8.188; 12.822; 14.196 93.37; 116.04; 90.87 | 1335.38 | Chiari, G.; Benna, P.; Bruno, E. The structure of bytownite (An85). A new refinement Zeitschrift fur Kristallographie, 1984, 169, 35-49 |
| 9017368 | CIF | As2 Te3 | C 1 2/m 1 | 14.3573; 4.0199; 9.899 90; 95.107; 90 | 569.052 | Stergiou, A. C.; Rentzeperis, P. J. Hydrothermal growth and the crystal structure of arsenic telluride, As2Te3 Zeitschrift fur Kristallographie, 1985, 172, 139-145 |
| 9017370 | CIF | O3 Se Zn | P b c a | 7.188; 6.225; 11.976 90; 90; 90 | 535.87 | Bensch, W.; Gunther, J. R. The crystal structure of beta-zinc selenite Zeitschrift fur Kristallographie, 1986, 174, 291-295 |
| 9017371 | CIF | O2 Si | C 2 2 21 (a,b,c+1/4) | 8.74; 5.04; 8.24 90; 90; 90 | 362.969 | Kihara, K.; Matsumoto, T.; Imamura, M. Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters Note: Dollase's model, T = 733 K Zeitschrift fur Kristallographie, 1986, 177, 27-38 |
| 9017372 | CIF | O2 Si | P 63/m m c | 5.052; 5.052; 8.27 90; 90; 120 | 182.794 | Kihara, K.; Matsumoto, T.; Imamura, M. Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters Note: hexagonal Gibbs model, T = 733 K Zeitschrift fur Kristallographie, 1986, 177, 27-38 |
| 9017373 | CIF | Ca2 H2 O9 S2 | I 1 2 1 | 12.0275; 6.9312; 12.6919 90; 90.18; 90 | 1058.06 | Abriel, W.; Nesper, R. Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen Zeitschrift fur Kristallographie, 1993, 205, 99-113 |
| 9017374 | CIF | Ca H O4.5 S | P 31 2 1 | 6.937; 6.937; 6.345 90; 90; 120 | 264.427 | Abriel, W.; Nesper, R. Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen Zeitschrift fur Kristallographie, 1993, 205, 99-113 |
| 9017376 | CIF | Pd2 Si | P -6 2 m | 6.496; 6.496; 3.433 90; 90; 120 | 125.457 | Nylund, A. Some notes on the palladium-silicon system Acta Chemica Scandinavica, 1966, 20, 2381-2386 |
| 9017377 | CIF | F3 Y | P n m a | 6.3537; 6.8545; 4.3953 90; 90; 90 | 191.422 | Cheetham, A. K.; Norman, N. The structures of yttrium and bismuth trifluorides by neutron diffraction Acta Chemica Scandinavica, 1974, 55-60 |
| 9017378 | CIF | Bi2 O9 S2 | C 1 2/c 1 | 32.16; 6.7606; 22.612 90; 119.55; 90 | 4276.83 | Aurivillius, B. Pyrolysis products of Bi2(SO4)3. II. Crystal structure of Bi2O(SO4)2 Acta Chemica Scandinavica, 1988, 95-110 |
| 9017379 | CIF | Al H2 O2 | C m c m | 2.876; 12.24; 3.709 90; 90; 90 | 130.565 | Christensen, A. N.; Lehmann, M. S.; Convert, P. Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D) Acta Chemica Scandinavica A, 1982, 36, 303-308 |
| 9017380 | CIF | Al H O2 | C m c 21 | 2.876; 12.24; 3.709 90; 90; 90 | 130.565 | Christensen, A. N.; Lehmann, M. S.; Convert, P. Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D) Acta Chemica Scandinavica A, 1982, 36, 303-308 |
| 9017381 | CIF | Fe H2 O2 | C m c m | 3.07; 12.53; 3.876 90; 90; 90 | 149.098 | Christensen, A. N.; Lehmann, M. S.; Convert, P. Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D) Acta Chemica Scandinavica A, 1982, 36, 303-308 |
| 9017382 | CIF | Fe H O2 | C m c 21 | 3.07; 12.53; 3.876 90; 90; 90 | 149.098 | Christensen, A. N.; Lehmann, M. S.; Convert, P. Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D) Acta Chemica Scandinavica A, 1982, 36, 303-308 |
| 9017383 | CIF | Ti | P 63/m m c | 2.95; 2.95; 4.686 90; 90; 120 | 35.316 | Fang, Q.; Bai, W.; Yang, J.; Rong, H.; Shi, N.; Li, G.; Xiong, M.; Ma, Z. Titanium, Ti, a new mineral species from Luobusha, Tibet, China Acta Geologica Sinica, 2013, 87, 1275-1280 |
| 9017384 | CIF | Al0.01 Ca0.74 Ce0.05 F0.09 Fe0.02 H0.91 Mg0.01 Na0.58 Nb1.15 O6.91 Ta0.03 Ti0.8 U0.4 | F d -3 m :2 | 10.381; 10.381; 10.381 90; 90; 90 | 1118.71 | Yang, G.; Li, G.; Xiong, M.; Pan, B.; Yan, C. Hydroxycalciopyrochlore, a new mineral species from Sichuan, China Acta Geologica Sinica, 2014, 88, 748-753 |
| 9017385 | CIF | Cl4 K2 Zn | P n a 21 | 26.751; 12.393; 7.247 90; 90; 90 | 2402.56 | Kusz, J.; Kucharczyk, D. The comparative study of the commensurate structure of K2ZnC14 Applied Crystallography: Proceedings of the XVI Conference, 1994, 16, 268-272 |
| 9017386 | CIF | B K O6 Si2 | P 21 21 21 | 9.963; 10.4348; 4.7044 90; 90; 90 | 489.078 | Sokolova, E. V.; Uvarova Yu, A.; Hawthorne, F. C.; Khomyakov, A. P. First edition. A A Balkema, Rotterdam, Netherlands Crystal chemistry of a novel zeolite mineral from the Kbibiny Alkaline Massif, Kolal Peninsula Applied Mineralogy in Research, Economy, Technology, and Culture, 2000, 1, 254-248 |
| 9017387 | CIF | H Mn O3 Pb | P 1 2/c 1 | 9.118; 5.676; 5.604 90; 87; 90 | 289.631 | Bystrom, A. The structure of quenselite, PbMnO2OH Arkiv for Kemi, Mineralogi och Geologi, 1944, 19, 1-9 |
| 9017388 | CIF | Cl2 Co0.02 Cu3.27 H6 Ni0.71 O6 | R -3 :H | 13.682; 13.682; 13.916 90; 90; 120 | 2256.03 | Sciberras, M. J.; Leverett, P.; Williams, P. A.; Hibbs, D. E.; Downes, P. J.; Welch, M. D.; Kampf, A. R. Paratacamite-(Ni), Cu3(Ni,Cu)Cl2(OH)6, a new mineral from the Carr Boyd Rocks mine, Western Australia Australian Journal of Mineralogy, 2013, 17, 39-44 |
| 9017390 | CIF | H4 Mo O5 | P 1 21/n 1 | 10.596; 13.804; 10.462 90; 91.59; 90 | 1529.66 | Cesbron, F.; Ginderow, D. La sidwillite, MoO3*2H2O; une nouvelle espece minerale de Lake Como, Colorado, U.S.A. Bulletin de Mineralogie, 1985, 108, 813-823 |
| 9017391 | CIF | C2 Mn O6 | C 1 2/c 1 | 12.0155; 5.6323; 9.9609 90; 128.37; 90 | 528.509 | Deyrieux, R.; Berro, C.; Peneloux, A. Contribution a l'etude des oxalates de certains metaux bivalents. III. - Structure cristalline des oxalates dihydrates de manganese, de cobalt, de nickel et de zinc. Polymorphisme des oxalates dihydrates de cobalt et de nickel Bulletin de la Societe Chimique de France, 1973, 1973, 25-34 |
| 9017392 | CIF | C2 Co O6 | C 1 2/c 1 | 11.775; 5.416; 9.859 90; 127.85; 90 | 496.467 | Deyrieux, R.; Berro, C.; Peneloux, A. Contribution a l'etude des oxalates de certains metaux bivalents. III. - Structure cristalline des oxalates dihydrates de manganese, de cobalt, de nickel et de zinc. Polymorphisme des oxalates dihydrates de cobalt et de nickel Bulletin de la Societe Chimique de France, 1973, 1973, 25-34 |
| 9017393 | CIF | C2 Ni O6 | C 1 2/c 1 | 11.7748; 5.3328; 9.8326 90; 127.21; 90 | 491.724 | Deyrieux, R.; Berro, C.; Peneloux, A. Contribution a l'etude des oxalates de certains metaux bivalents. III. - Structure cristalline des oxalates dihydrates de manganese, de cobalt, de nickel et de zinc. Polymorphisme des oxalates dihydrates de cobalt et de nickel Bulletin de la Societe Chimique de France, 1973, 1973, 25-34 |
| 9017394 | CIF | C2 O6 Zn | C 1 2/c 1 | 11.8039; 5.4028; 9.9213 90; 127.7; 90 | 500.625 | Deyrieux, R.; Berro, C.; Peneloux, A. Contribution a l'etude des oxalates de certains metaux bivalents. III. - Structure cristalline des oxalates dihydrates de manganese, de cobalt, de nickel et de zinc. Polymorphisme des oxalates dihydrates de cobalt et de nickel Bulletin de la Societe Chimique de France, 1973, 1973, 25-34 |
| 9017395 | CIF | As Rh | P n m a | 5.62; 3.58; 6 90; 90; 90 | 120.718 | Heyding, R. D.; Calvert, L. D. Arsenides of the transition metals IV. A note on the platinum metal arsenides Canadian Journal of Chemistry, 1961, 39, 955-957 |
| 9017396 | CIF | Al K0.86 Na0.14 O8 Si3 | C 1 2/m 1 | 8.543; 13.021; 7.183 90; 115.98; 90 | 718.282 | Ohashi, Y.; Finger LW Refinement of the crystal structure of sanidine at 25 and 400C Note: T = 25 C Carnegie Institution of Washington: Yearbook, 1974, 73, 539-544 |
| 9017398 | CIF | Al K0.86 Na0.14 O8 Si3 | C 1 2/m 1 | 8.682; 13.013; 7.184 90; 115.71; 90 | 731.289 | Ohashi, Y.; Finger LW An effect of temperature on the feldspar structure: crystal structure of sanidine at 800C Note: T = 800 C Carnegie Institution of Washington: Yearbook, 1975, 74, 569-572 |
| 9017399 | CIF | Al7 Ca6 F O16 | I -4 3 d | 11.981; 11.981; 11.981 90; 90; 90 | 1719.81 | Yu, Q.; Sugita, S.; Feng, X.; Mi, J. On the preparation of single crystals of 11CaO*7Al2O3*CaF2 and the confirmation of its crystal structure Cement and Concrete Research, 1997, 27, 1439-1449 |
| 9017400 | CIF | Ca2 O9 S2 | P 31 | 6.93145; 6.93145; 12.73617 90; 90; 120 | 529.929 | Christensen, A.; Olesen, M.; Cerenius, Y.; Jensen, T. Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4 Chemistry of Materials, 2008, 20, 2124-2132 |
| 9017401 | CIF | Ca O4 S | P 62 2 2 | 6.96895; 6.96865; 6.30044 90; 90; 120 | 264.983 | Christensen, A.; Olesen, M.; Cerenius, Y.; Jensen, T. Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4 Chemistry of Materials, 2008, 20, 2124-2132 |
| 9017402 | CIF | C H4 Ca7 O23 Si6 | C 1 m 1 | 10.0394; 15.1935; 6.6344 90; 115.645; 90 | 912.283 | Zhang, L.; Fu, P.; Yang, H.; Yu, K.; Zhou, Z. Crystal structure of Scawtite Chinese Science Bulletin, 1992, 37, 930-934 |
| 9017403 | CIF | H2 Mg3 O12 Si4 | C -1 | 5.1848; 8.923; 9.19 90.69; 90.9; 90 | 425.083 | Drits, V. A.; Guggenheim, S.; Zviagina, B. B.; Kogure, T. Structures of the 2:1 layers of pyrophyllite and talc Note: structure is averaged to remove stacking disorder effects Clays and Clay Minerals, 2012, 60, 574-587 |
| 9017404 | CIF | Ca O4 S | B b m m | 6.24; 6.98; 6.97 90; 90; 90 | 303.58 | Wasastjerna, J. The crystal structure of anhydrite, CaSO4 Commentationes Physico-Mathematicae, 1927, 2, 1-46 |
| 9017405 | CIF | O9 Sn Ta | P m -3 m | 3.88; 3.88; 3.88 90; 90; 90 | 58.411 | Gasperin, M. Synthese et identification de deux oxydes doubles de tantale et d'etain Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1955, 240, 2340-2342 |
| 9017406 | CIF | Ca2 H2 O9 S2 | I 1 2 1 | 12.01917; 6.93028; 12.66972 90; 90.2348; 90 | 1055.33 | Bezou, C.; Christensen, A. N.; Cox, D.; Lehmann, M.; Nonat, A. Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O Note: CaSO4*0.5H2O Comptes Rendus de l'Academie des Sciences Paris, 1991, 312, 43-48 |
| 9017407 | CIF | Ca3 H3.6 O13.8 S3 | C 1 2 1 | 11.9991; 6.9254; 6.3766 90; 90; 90 | 529.886 | Bezou, C.; Christensen, A. N.; Cox, D.; Lehmann, M.; Nonat, A. Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O Note: CaSO4*0.6H2O Comptes Rendus de l'Academie des Sciences Paris, 1991, 312, 43-48 |
| 9017408 | CIF | C Ca O3 | P 65 | 7.112; 7.112; 25.4089 90; 90; 120 | 1113.01 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017409 | CIF | C Ca O3 | P 32 2 1 | 7.1239; 7.1239; 25.3203 90; 90; 120 | 1112.85 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017410 | CIF | C Ca O3 | A m a 2 | 8.4905; 6.3905; 4.5026 90; 90; 90 | 244.305 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017411 | CIF | C Ca O3 | P 21 21 21 | 4.3668; 6.5831; 8.4282 90; 90; 90 | 242.286 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017412 | CIF | C Ca O3 | C 1 | 12.353; 7.102; 25.733 90.46; 99.78; 90.24 | 2224.67 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. The multiple structures of vaterite Crystal Growth & Design, 2013, 13, 2247-2251 |
| 9017413 | CIF | C Ca O3 | C 1 | 12.358; 7.106; 25.741 90.43; 99.88; 90.29 | 2226.84 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. The multiple structures of vaterite Crystal Growth & Design, 2013, 13, 2247-2251 |
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