Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9015494 | CIF | Cu3 H6 O11 V2 | C 1 2/m 1 | 10.6; 5.86; 7.21 90; 95.08; 90 | 446.097 | Kashaev, A. A.; Bakakin, V. V. Crystal structure of volborthite Cu3(OH)2V2O7*2H2O Doklady Akademii Nauk SSSR, 1968, 181, 967-969 |
| 9015496 | CIF | Ba6 Cl6.391 Mn2.01 O18 Si6 Ti0.99 | P 6/m m m | 16.3; 16.3; 7.169 90; 90; 120 | 1649.55 | Basciano, L. C. Mineralogy and crystal structures of barium silicate minerals from Fresno County, California Master's Thesis, University of British Columbia, 1999, 1999, 1-164 |
| 9015497 | CIF | Ag9 As6 Hg0.5 S12.14 Te1.86 | P -1 | 7.832; 8.606; 10.755 95.563; 95.88; 116.79 | 635.282 | Guastoni, A.; Bindi, L.; Nestola, F. Debattistiite, Ag9Hg0.5As6S12Te2, a new Te-bearing sulfosalt from Lengenbach quarry, Binn valley, Switzerland: description and crystal structure Mineralogical Magazine, 2012, 76, 743-750 |
| 9015499 | CIF | Ca0.91 H6 Na0.09 O18 Si6 Ti0.01 Y0.03 Zr0.96 | C 1 2 1 | 14.018; 14.133; 7.84 90; 109.4; 90 | 1465.04 | Kabalov, Y. K.; Zubkova, N. V.; Pushcharovsky, D. Y.; Schneider, J.; Sapozhnikov, A. N. Powder Rietveld refinement of armstrongite, CaZr[Si6O15]*3H2O Zeitschrift fur Kristallographie, 2000, 215, 757-761 |
| 9015501 | CIF | As2 Cu0.4 H8 O12 Zn2.6 | P -1 | 5.9756; 7.6002; 5.4471 84.2892; 90.492; 87.9958 | 245.988 | Hawthorne, F. C.; Cooper, M. A.; Abdu, Y. A.; Ball, N. A.; Back, M. E.; Tait, K. T. Davidlloydite, ideally Zn3(AsO4)2(H2O)4, a new arsenate mineral from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure Mineralogical Magazine, 2012, 76, 45-57 |
| 9015502 | CIF | Ba O9 Si3 Ti | P 3 1 c | 11.2984; 11.2984; 9.6051 90; 90; 120 | 1061.86 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 6.14 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9015503 | CIF | Fe2 O3 | R -3 c :H | 5.002; 5.002; 13.6202 90; 90; 120 | 295.122 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 52.4 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9015505 | CIF | Ba F10 O2 Zr2 | P n a m | 7.8974; 7.9076; 14.7227 90; 90; 90 | 919.425 | Gao, Y.; Guery, J.; Le Bail, A.; Jacoboni, C. Synthesis,X-ray single-crystal structure determination and dehydration study of BaZr2F10*2H2O by X-ray powder thermodiffractometry _cod_database_code 1000108 Journal of Solid State Chemistry, 1992, 98, 11-24 |
| 9015506 | CIF | La0.3 Nb2 O6 Sr0.7 | P n m a | 11.046; 7.653; 5.571 90; 90; 90 | 470.945 | Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M. Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd] Materials Research Bulletin, 1994, 29, 743-749 |
| 9015507 | CIF | Ca1.848 Fe2.041 H2 K0.684 Mg3.199 Na0.11 O24 Si8 | C 1 2/m 1 | 9.866; 18.054; 5.318 90; 105.22; 90 | 914.021 | Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S. The effect of oxo-component on the high-pressure behavior of amphiboles Sample: DL5 P = 0.0001 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9015508 | CIF | As2.196 Hg0.804 Pd6 | P -6 2 m | 6.813; 6.813; 3.4892 90; 90; 120 | 140.26 | Bindi, L. Atheneite, [Pd2][As0.75Hg0.25], from Itabira, Minas Gerais, Brazil: Crystal structure and revision of the chemical formula The Canadian Mineralogist, 2010, 48, 1149-1155 |
| 9015509 | CIF | B9.002 Ba4.98 Ca9.01 Ce2.51 Dy0.28 F2 Fe0.42 Gd0.27 H44.1 La1.12 Nb5.28 Nd0.84 O122.69 P3.12 Pr0.27 Si4.66 Sm3.18 Sr0.96 Ti11.92 Y3.5 | R 3 :H | 9.1202; 9.1202; 102.145 90; 90; 120 | 7357.94 | Sokolova, E.; Hawthorne, F. C.; Pautov, L. A.; Agakhanov, A. A. Byzantievite, Ba5(Ca,REE,Y)22(Ti,Nb)18(SiO4)4[(PO4),(SiO4)]4(BO3)9O21[(OH),F]43(H2O)1.5: the crystal structure and crystal chemistry of the only known mineral with the oxyanions (BO3), (SiO4) and (PO4) Mineralogical Magazine, 2010, 74, 285-308 |
| 9015510 | CIF | C Ca O3 | P m c n | 4.9605; 7.9925; 5.7629 90; 90; 90 | 228.481 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 135 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015511 | CIF | Al1.882 Be2.856 Cu0.144 Fe0.118 H0.98 Li0.12 O18.49 Si6 | P 6/m c c | 9.2489; 9.2489; 9.2211 90; 90; 120 | 683.115 | Adamo, I.; Gatta, G. D.; Rotiroti, N.; Diella, V.; Pavese, A. Gemmological investigation of a synthetic blue beryl: a multi-methodological study Note: Sample: M2-2 Mineralogical Magazine, 2008, 72, 799-808 |
| 9015513 | CIF | Co Sb3 | I m -3 | 9.0347; 9.0347; 9.0347 90; 90; 90 | 737.465 | Kjekshus, A.; Rakke, T. Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides, Acta Chemica Scandinavica A, 1974, 28, 99-103 |
| 9015514 | CIF | Al2 Co0.34 Mg0.66 O4 | F d -3 m :2 | 8.0902; 8.0902; 8.0902 90; 90; 90 | 529.514 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl20 American Mineralogist, 2012, 97, 1834-1840 |
| 9015515 | CIF | Al H O12 Pb2 Si4 | I 1 2/m 1 | 7.8356; 13.9132; 10.2775 90; 92.925; 90 | 1118.98 | Yang, H.; Downs, R. T.; Evans, S. H.; Jenkins, R. A.; Bloch, E. M. Rongibbsite, Pb2(Si4Al)O11(OH), a new zeolitic aluminosilicate mineral with an interrupted framework from Maricopa County, Arizona, U.S.A. American Mineralogist, 2013, 98, 236-241 |
| 9015519 | CIF | Fe Si2 | P 4/m m m | 2.725; 2.725; 5.202 90; 90; 90 | 38.628 | Li, G.; Shi, N.; Xiong, M.; Ma, Z.; Bai, W.; Fang, Q. X-ray diffraction investigation of native Si-Fe alloy minerals from Luobusha, Tibet Frontiers of Earth Science in China, 2007, 1, 21-25 |
| 9015520 | CIF | Ca17 N34 O122.96 | P 63/m | 13.226; 13.226; 32.37 90; 90; 120 | 4903.77 | Leclaire, A. Structure cristalline d'un nouvel hydrate du nitrate de calcium Ca(NO3)2(H2O)1.235 Acta Crystallographica, Section B, 1976, 32, 1950-1953 |
| 9015524 | CIF | O4 Pb S | P b n m | 6.95802; 8.48024; 5.39754 90; 90; 90 | 318.486 | Antao, S. M. Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4): confirmation of expected variations within SO4 groups American Mineralogist, 2012, 97, 661-665 |
| 9015525 | CIF | Al2 Ca0.64 H4 O10 Si2 Sr0.36 | P 1 21/m 1 | 5.3427; 13.2039; 5.8448 90; 124.1; 90 | 341.424 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU86 American Mineralogist, 2010, 95, 724-735 |
| 9015528 | CIF | As0.1 Cu0.9 | P 63/m m c | 2.59; 2.59; 4.24 90; 90; 120 | 24.632 | Schubert, K.; Breimer, H.; Burkhardt, W.; Gunzel, E.; Haufler, R.; Lukas, H. L.; Vetter, H.; Wegst, J.; Wilkens, M. Einige strukturelle Ergebnisse an metallischen Phasen II Naturwissenschaften, 1957, 44, 229-230 |
| 9015529 | CIF | Fe | F m -3 m | 3.531; 3.531; 3.531 90; 90; 90 | 44.024 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 13.36 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015532 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7551; 4.7551; 9.2818 90; 90; 90 | 209.871 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim23_q0, untreated Mineralogical Magazine, 2006, 70, 319-328 |
| 9015533 | CIF | Pt Sb2 | P a -3 | 6.44; 6.44; 6.44 90; 90; 90 | 267.09 | Furuseth, S.; Selte, K.; Kjekshus, A. On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2 Acta Chemica Scandinavica, 1967, 21, 527-536 |
| 9015534 | CIF | C Fe O3 | R -3 c :H | 4.694; 4.694; 15.43 90; 90; 120 | 294.43 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P0, P = 0.02 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015535 | CIF | Al7.296 B3 Ca0.645 F0.714 Fe0.009 H3.286 Li1.557 Mn0.03 Na0.282 O30.286 Pb0.009 Si6 Ti0.006 | R 3 m :H | 15.8337; 15.8337; 7.1023 90; 90; 120 | 1542.04 | Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L17, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015536 | CIF | Al K0.984 O4 Si | P 3 1 c | 5.1531; 5.1531; 8.7523 90; 90; 120 | 201.275 | Gatta, G. D.; Angel, R. J.; Carpenter, M. A. Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 100 K American Mineralogist, 2010, 95, 1027-1034 |
| 9015537 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.322; 12.322; 4.905 90; 90; 120 | 644.959 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 5.00 GPa American Mineralogist, 2012, 97, 872-882 |
| 9015539 | CIF | Al1.457 Fe0.544 Mg1.001 O4 | F d -3 m :2 | 8.1708; 8.1708; 8.1708 90; 90; 90 | 545.499 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 765 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015541 | CIF | Fe0.925 H0.39 K Mg2.075 O12 Si4 | C 1 2/m 1 | 5.3237; 9.2149; 10.1597 90; 99.97; 90 | 490.881 | Scordari, F.; Schingaro, E.; Ventruti, G.; Lacalamita, M.; Ottolini, L. Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content appraisal by a multi-methodic approach Note: Sample LC7_R4 Physics and Chemistry of Minerals, 2008, 35, 163-174 |
| 9015545 | CIF | H2 O2 Zn | P 21 21 21 | 4.905; 5.143; 8.473 90; 90; 90 | 213.743 | Stahl, R.; Jung, C.; Lutz, H. D.; Kockelmann, W.; Jacobs, H. Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2 und epsilon-Zn(OH)2 Note: X-ray single-crystal Zeitschrift fur Anorganische und Allgemeine Chemie, 1998, 624, 1130-1136 |
| 9015549 | CIF | As2 S3 | P -1 | 5.7577; 8.7169; 10.2682 78.152; 75.817; 89.861 | 488.377 | Kampf, A. R.; Downs, R. T.; Housley, R. M.; Jenkins, R. A.; Hyrsl, J. Anorpiment, As2S3, the triclinic dimorph of orpiment Mineralogical Magazine, 2011, 75, 2857-2867 |
| 9015550 | CIF | La0.741 Nb1.778 O6 Ti0.222 | C m m m | 7.80411; 7.82272; 7.9231 90; 90; 90 | 483.7 | Golobic, A.; Skapin, S. D.; Suvorov, D.; Meden, A. Solving Structural Problems of Ceramic Materials Croatica Chemica Acta, 2004, 77, 435-446 |
| 9015551 | CIF | Al2 Cu0.06 Mg0.94 O4 | F d -3 m :2 | 8.0858; 8.0858; 8.0858 90; 90; 90 | 528.651 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl15a2 American Mineralogist, 2012, 97, 1821-1827 |
| 9015552 | CIF | Ba Co2 O7 Si2 | C 1 2/c 1 | 7.2131; 12.781; 13.762 90; 90.299; 90 | 1268.71 | Adams, R. D.; Layland, R.; Payen, C.; Datta, T. Synthesis, structural analyses, and unusual magnetic properties of Ba2CoSi2O7 and BaCo2Si2O7 Note: Compound 2 Inorganic Chemistry, 1996, 35, 3492-3497 |
| 9015553 | CIF | C0.437 H1.998 Al2.67 K0.15 Na3.43 O14.31 Si3.33 | P 63 | 12.683; 12.683; 5.19 90; 90; 120 | 723.006 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# Kovd15/1 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9015554 | CIF | C4 H0.03 Ba Ca0.39 Ce0.66 F0.89 La0.78 Na0.61 Nd0.08 O12.03 Pr0.02 Sr0.44 | P 63/m m c | 5.1182; 5.1182; 23.1785 90; 90; 120 | 525.836 | Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Konev, A. A.; Koneva, A. A.; Raudsepp, M. Cordylite-(La), a new mineral species in fenite from the Biraya Fe-REE deposit, Irkutsk, Russia Note: crystal 1 The Canadian Mineralogist, 2012, 50, 1281-1290 |
| 9015555 | CIF | C Fe O3 | R -3 c :H | 4.367; 4.367; 12.78 90; 90; 120 | 211.071 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P19, P = 46.4 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015556 | CIF | Cu H4 O5 Se | P 1 21/n 1 | 8.177; 8.611; 6.29 90; 97.27; 90 | 439.332 | Lo, K.; Chen, Z.; Ma, Z. The crystal structure of clinochalcomenite Note: reported coordinates do not produce the reported bond lengths Kexue Tongbao, 1984, 29, 352-355 |
| 9015560 | CIF | C2.7 Ca0.1 Ce0.94 F1.6 La0.8 Na Nd0.1 O8.1 Pr0.04 Sm0.02 | P -6 m 2 | 5.1109; 5.1109; 8.6713 90; 90; 120 | 196.16 | Piilonen, P. C.; McDonald, A. M.; Grice, J. D.; Cooper, M. A.; Kolitsch, U.; Rowe, R.; Gault, R. A.; Poirier, G. Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia), with descriptions of the crystal structures of arisite-(La) and arisite-(Ce) Note: x-coordinate of O1 adjusted to special position Mineralogical Magazine, 2010, 74, 257-268 |
| 9015561 | CIF | C Ca O3 | P m c n | 4.9721; 8.0344; 5.8183 90; 90; 90 | 232.429 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 379 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015563 | CIF | P2 Pt | P a -3 | 5.6956; 5.6956; 5.6956 90; 90; 90 | 184.764 | Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741 |
| 9015565 | CIF | Ag2 Bi4 Pb Se8 | P 1 21/m 1 | 13.203; 4.186; 15.28 90; 109.164; 90 | 797.692 | Sejkora, J.; Makovicky, E.; Topa, D.; Putz, H.; Zagler, G.; Pasil, J. Litochlebite, Ag2PbBi4Se8, a new selenide mineral species from Zalesi, Czech Republic: description and crystal structure The Canadian Mineralogist, 2011, 49, 639-650 |
| 9015566 | CIF | Pt Sb1.347 Sn1.821 | I m -3 | 9.3887; 9.3887; 9.3887 90; 90; 90 | 827.592 | Liang, Y.; Borrmann, H.; Baenitz, M.; Schnelle, W.; Budnyk, S.; Zhao, J. T.; Grin, Y. SnxPt4SnySb12-y: A skutterudite with covalently bonded filler Inorganic Chemistry, 2008, 47, 9489-9496 |
| 9015567 | CIF | B4 H20 Na2 O17 | C 1 2/c 1 | 11.858; 10.674; 12.197 90; 106.68; 90 | 1478.84 | Morimoto, N. The crystal structure of borax Mineralogical Journal, 1956, 2, 1-18 |
| 9015568 | CIF | Cu O | C 1 2/c 1 | 4.6797; 3.4768; 5.1193 90; 98.644; 90 | 82.347 | Calos, N. J.; Forrester, J. S.; Schaffer, G. B. A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 30 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9015569 | CIF | O3 V2 | R -3 c :H | 4.9521; 4.9521; 14.0024 90; 90; 120 | 297.38 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 0.001 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9015570 | CIF | O5 Pb2 Te | I 1 2/a 1 | 7.5353; 5.7142; 10.8981 90; 91.33; 90 | 469.126 | Kampf, A. R.; Housley, R. M.; Mills, S. J.; Marty, J.; Thorne, B. Lead-tellurium oxysalts from Otto Mountain near Baker, California: I. Ottoite, Pb2TeO5, a new mineral with chains of tellurate octahedra American Mineralogist, 2010, 95, 1329-1336 |
| 9015571 | CIF | Al2 H4 Mg2 O9 Si | R 3 :H | 5.31; 5.31; 42.1 90; 90; 120 | 1028.02 | Steadman, R.; Nuttall, P. M. The crystal structure of amesite Note: polytype 6R Acta Crystallographica, 1962, 15, 510-511 |
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