Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9015466 | CIF | Al Ca1.168 F2 Fe12.26 K0.908 Mg2.52 Na3.152 O48 P11.916 | C 1 2/c 1 | 16.506; 10.036; 24.723 90; 105.67; 90 | 3943.25 | Steele, I. M. Arrojadite: variations in space group and composition based on four new refinements Sample: arronpc General Meeting of the International Mineralogical Association, 2002, 18, MO2-117 |
| 9015468 | CIF | C0.45 Al3 Ca1.246 Cl K0.366 Na2.388 O13.95 S0.15 Si3 | P 63 | 12.695; 12.695; 5.325 90; 90; 120 | 743.217 | Chukanov, N. V.; Zubkova, N. V.; Pekov, I. V.; Olysych, L. V.; Bonaccorsi, E.; Pushcharovsky, D. Y. Balliranoite, (Na,K)6Ca2(Si6Al6O24)Cl2(CO3), a new cancrinite-group mineral from Monte Somma - Vesuvio volcanic complex, Italy European Journal of Mineralogy, 2010, 22, 113-119 |
| 9015469 | CIF | Al Na O6 Si2 | I 1 2/a 1 | 13.7249; 13.527; 13.6938 90; 90.18; 90 | 2542.33 | Likhachieva, A. Y.; Rashchenko, S. V.; Seryotkin, Y. V. The deformation mechanism of a pressure-induced phase transition in dehydrated analcime Note: dehydrated, P = 0 GPa Mineralogical Magazine, 2012, 76, 129-142 |
| 9015470 | CIF | Al1.61 Fe0.39 Mg O4 | F d -3 m :2 | 8.1469; 8.1469; 8.1469 90; 90; 90 | 540.726 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 3 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015471 | CIF | H28 K Mg2 Na O22 P2 | P m n b | 6.9349; 25.1737; 11.2195 90; 90; 90 | 1958.67 | Yang, H.; Sun, H. J.; Downs, R. T. Hazenite, KNaMg2(PO4)2*14H2O, a new biologically related phosphate mineral, from Mono Lake, California, U.S.A. American Mineralogist, 2011, 96, 675-681 |
| 9015472 | CIF | H12 O21.5 Pb5 S0.5 Te3 | C 2 2 21 | 9.6581; 19.5833; 10.5027 90; 90; 90 | 1986.45 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Rumsey, M. S.; Spratt, J. Lead-tellurium oxysalts from Otto Mountain near Baker, California: VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, the chromate analog of schieffelinite American Mineralogist, 2012, 97, 212-219 |
| 9015475 | CIF | Fe3 Si | F m -3 m | 5.662; 5.662; 5.662 90; 90; 90 | 181.514 | Buschow, K. H. J.; van Engen, P. G.; Jongebreur, R. Magneto-optical properties of metallic ferromagnetic materials Journal of Magnetism and Magnetic Materials, 1983, 38, 1-22 |
| 9015476 | CIF | Al2 Ca H4 O10 Si2 | P 1 21/m 1 | 5.197; 12.863; 5.681 90; 124.48; 90 | 313.053 | Pawley, A. R.; Allan, D. R. A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN90, P = 11.9 GPa Mineralogical Magazine, 2001, 65, 41-58 |
| 9015477 | CIF | Cu2 H2 O7 Pb Te | P 21 21 21 | 5.1943; 9.6198; 11.6746 90; 90; 90 | 583.358 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; Thorne, B. Lead-tellurium oxysalts from Otto Mountain near Baker, California: V. Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite, Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets American Mineralogist, 2010, 95, 1560-1568 |
| 9015480 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.5244; 11.5244; 11.5244 90; 90; 90 | 1530.58 | Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 922.9 K American Mineralogist, 2011, 96, 1593-1605 |
| 9015481 | CIF | C Ca O3 | R -3 c :H | 4.9766; 4.9766; 17.284 90; 90; 120 | 370.715 | 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 = 458 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015482 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7499; 4.7499; 9.2716 90; 90; 90 | 209.182 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim24_q1, treated at 700 C for 30 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015485 | CIF | Bi13.604 Cu0.842 Fe0.45 Pb7.25 S28 | P m c n | 4.0307; 22.7011; 54.6145 90; 90; 90 | 4997.3 | Topa, D.; Makovicky, E. Eclarite: New data and interpretations The Canadian Mineralogist, 2012, 50, 371-386 |
| 9015486 | CIF | Al0.151 Fe0.174 H4 Mg2.745 O9 Si1.924 | P 3 1 m | 5.323; 5.323; 7.27 90; 90; 120 | 178.393 | Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A. The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: sample Sassomorello, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054 |
| 9015490 | CIF | Al12 H44.92 K8 O94.46 Si24 Tl3.78 | P 6/m m m | 18.5432; 18.5432; 7.531 90; 90; 120 | 2242.6 | Artioli, G.; Kvick, A. Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L Sample: data collected with synchrotron radiation European Journal of Mineralogy, 1990, 2, 749-759 |
| 9015491 | CIF | Al1.686 Ca2 Cr0.824 H4 Mg0.49 O14 Si3 | A 1 2/m 1 | 8.807; 5.943; 19.18 90; 97.44; 90 | 995.43 | Nagashima, M.; Akasaka, M.; Ikeda, K.; Kyono, A.; Makino, K. X-ray single-crystal and optical spectroscopic study of chromian pumpellyite from Sarany, Urals, Russia Journal of Mineralogical and Petrological Sciences, 2010, 105, 187-193 |
| 9015493 | CIF | F0.45 Fe1.212 O4.55 P | I 41/a m d :2 | 5.184; 5.184; 13.04 90; 90; 90 | 350.435 | Loiseau, T.; Lacorre, P.; Calage, Y.; Greneche, J.; Ferey, G. Crystal structure and magnetic study of a new iron(III) phosphate, Fe1.21PO4X (X=F,OH,H2O), isostructural with 3MgSO4*Mg(OH)2*H2O _cod_database_code 1000351 Journal of Solid State Chemistry, 1993, 105, 417-427 |
| 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 |
| 9015573 | CIF | La Nb O6 Ti | C 1 2/c 1 | 11.2041; 8.85114; 5.2718 90; 115.328; 90 | 472.544 | Golobic, A.; Skapin, S. D.; Suvorov, D.; Meden, A. Solving Structural Problems of Ceramic Materials Croatica Chemica Acta, 2004, 77, 435-446 |
| 9015574 | CIF | Br0.18 Cl4.82 K0.04 Pb2 Tl0.96 | P 1 21/c 1 | 9.0026; 7.9723; 12.5693 90; 90.046; 90 | 902.116 | Mitolo, D.; Pinto, D.; Garavelli, A.; Bindi, L.; Vurro, F. The role of the minor substitutions in the crystal structure of natural challacolloite, KPb2Cl5, and hephaistosite, TiPb2Cl5, from Vulcano (Aeolian Archipelago, Italy) Mineralogy and Petrology, 2009, 96, 121-128 |
| 9015575 | CIF | Cl Cu2 H3 O3 | P 1 21/n 1 | 6.1637; 6.8166; 9.114 90; 99.6515; 90 | 377.509 | Zheng, X. G.; Kawae, T.; Kashitani, Y.; Li, C. S.; Tateiwa, N.; Takeda, K.; Yamada, H.; Xu, C. N.; Ren, Y. Unconventional magnetic transitions in the mineral clinoatacamite Physical Review B, 2005, 71, 052409-052404 |
| 9015577 | CIF | Al1.461 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.1699; 8.1699; 8.1699 90; 90; 90 | 545.318 | 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 550 C Annealing time = 60 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015578 | CIF | Ca0.33 Fe2 H7 Na0.67 O12 P2 | P -1 | 6.317; 7.698; 9.768 105.53; 99.24; 90.09 | 451.224 | Mills, S. J.; Birch, W. D.; Kampf, A. R.; Christy, A. G.; Pluth, J. J.; Pring, A.; Raudsepp, M.; Chen, Y. S. Kapundaite, (Na,Ca)2Fe3+4(PO4)4(OH)3*5H2O, a new phosphate species from Toms quarry, South Australia: Description and structural relationship to melonjosephite American Mineralogist, 2010, 95, 754-760 |
| 9015580 | CIF | Al0.209 Fe0.105 H4 Mg2.787 O9 Si1.896 | P 3 1 m | 5.3234; 5.3234; 7.2721 90; 90; 120 | 178.471 | Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A. The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: Pompeano 3, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054 |
| 9015581 | CIF | Ni0.106 Ti0.942 | P m -3 m | 3.0191; 3.0191; 3.0191 90; 90; 90 | 27.519 | Sitepu, H. Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy Powder Diffraction, 2007, 22, 209-218 |
| 9015582 | CIF | As18 Bi6 Co0.24 Fe14 H176 Mg10.76 O174 | P 1 21/n 1 | 13.6322; 30.469; 18.4671 90; 91.134; 90 | 7668.98 | Brugger, J.; Meisser, N.; Krivovichev, S.; Armbruster, T.; Favreau, G. Mineralogy and crystal structure of bouazzerite from Bou Azzer, Anti-Atlas, Morocco: Bi-As-Fe nanoclusters containing Fe3+ in trigonal prismatic coordination American Mineralogist, 2007, 92, 1630-1639 |
| 9015584 | CIF | Ca O8 Ti Zr2.5 | I 41/a c d :2 | 15.207; 15.207; 10.114 90; 90; 90 | 2338.89 | Callegari, A.; Mazzi, F.; Ungaretti, P. The crystal structure of orthorhombic calzirtite from Val Malenco (Italy) Note: crystal n.2 Neues Jahrbuch fur Mineralogie, Monatshefte, 1997, 1997, 467-480 |
| 9015585 | CIF | Al2 Ca0.979 H4 O10 Si2 Sr0.021 | C m c m | 5.8419; 8.794; 13.1393 90; 90; 90 | 675.014 | 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 #AU79 American Mineralogist, 2010, 95, 724-735 |
| 9015587 | CIF | Al7.173 B3 Ca0.517 F0.588 Fe0.09 H3.411 Li1.395 Mg0.102 Mn0.234 Na0.386 O30.411 Pb0.021 Si6 Ti0.003 | R 3 m :H | 15.8548; 15.8548; 7.1099 90; 90; 120 | 1547.8 | 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: L4, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015588 | CIF | Cu5 H14 O18 S2 | P -1 | 6.064; 11.012; 5.49 102.68; 92.43; 92.06 | 356.956 | Strandberg, H.; Langer, V.; Johansson, L. G. Structure of Cu2.5(OH)3SO4*2H2O: a novel corrosion product of copper Acta Chemica Scandinavica, 1995, 49, 5-10 |
| 9015589 | CIF | Al2 Co0.48 Mg0.52 O4 | F d -3 m :2 | 8.0914; 8.0914; 8.0914 90; 90; 90 | 529.75 | 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: CoAl34 American Mineralogist, 2012, 97, 1834-1840 |
| 9015591 | CIF | Li Nb3 O8 | P 1 21/a 1 | 15.262; 5.033; 7.457 90; 107.34; 90 | 546.767 | Lundberg, M. The crystal structure of LiNb3O8 Note: isostructural with lithiotantite Acta Chemica Scandinavica, 1971, 25, 3337-3346 |
| 9015592 | CIF | Al0.1 Ca0.28 Ce0.02 Fe0.1 H6 Nb0.8 Nd0.02 O14 Si0.26 Ta0.52 Ti0.22 U1.44 | C m c m | 14.15; 10.395; 7.529 90; 90; 90 | 1107.44 | Atencio, D.; Roberts, A. C.; Cooper, M. A.; Menezes, L. A. D.; Coutinho, J. M. V.; Stirling, J. A. R.; Venance, K. E.; Ball, N. A.; Moffatt, E.; Chaves, M. L. S. C.; Brandao, P. R. G.; Romano, A. W. Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil: description and crystal structure Mineralogical Magazine, 2012, 76, 75-90 |
| 9015593 | CIF | C Ca O3 | P m c n | 4.9693; 8.0234; 5.8037 90; 90; 90 | 231.397 | 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 = 318 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015594 | CIF | Al6.772 Ca6 Cl0.624 Fe0.228 O16.748 | I -4 3 d | 12.032; 12.032; 12.032 90; 90; 90 | 1741.86 | Galuskin, E. V.; Kusz, J.; Armbruster, T.; Bailau, R.; Galuskina, I. O.; Ternes, B.; Murashko, M. A reinvestigation of mayenite from the type locality, the Ettringer Bellerberg volcano near Mayen, Eifel district, Germany Mineralogical Magazine, 2012, 76, 707-716 |
| 9015595 | CIF | H10 Mg Na2 O13 S2 | P 1 21/c 1 | 5.7594; 23.914; 8.025 90; 95.288; 90 | 1100.58 | Mills, S. J.; Wilson, S. A.; Dipple, G. M.; Raudsepp, M. The decomposition of konyaite: importance in CO2 fixation in mine tailings Mineralogical Magazine, 2010, 74, 903-917 |
| 9015596 | CIF | Cl F Na6 O8 S2 | F m -3 m | 10.071; 10.071; 10.071 90; 90; 90 | 1021.45 | Sakamoto, Y. The size, atomic charges, and motion of the sulfate radical of symmetry -43m in the crystal of sulfohalite, Na6ClF(SO4)2 Journal of Science of the Hiroshima University, Series A-II: Physics and Chemistry, 1968, 32, 101-108 |
| 9015597 | CIF | Al4 B10.68 Be5.32 Cs0.34 K0.34 O28 Rb0.17 | P -4 3 m | 7.3098; 7.3098; 7.3098 90; 90; 90 | 390.586 | Gatta, G. D.; Vignola, P.; McIntyre, G. J.; Diella, V. On the crystal chemistry of londonite [(Cs,K,Rb)Al4Be5B11O28]: a single-crystal neutron diffraction study at 300 and 20 K Note: neutron diffraction study at T = 300 K American Mineralogist, 2010, 95, 1467-1472 |
| 9015598 | CIF | Bi H3 Mo2.102 O9 | P 1 21/n 1 | 5.8505; 9.0421; 13.9173 90; 100.42; 90 | 724.095 | Orlandi, P.; Demartin, F.; Pasero, M.; Leverett, P.; Williams, P. A.; Hibbs, D. E. Gelosaite, BiMo6+(2-5x)Mo5+6xO7(OH)*H2O (0<=x<=0.4), a new mineral from Su Senargiu (CA), Sardinia, Italy, and a second occurrence from Kingsgate, New England, Australia American Mineralogist, 2011, 96, 268-273 |
| 9015599 | CIF | Al5.47 B3 Ca0.35 F0.44 Fe1.1 H3.21 Li0.039 Mg2.35 Na0.55 O30.56 Si5.98 Ti0.05 | R 3 m :H | 15.981; 15.981; 7.21 90; 90; 120 | 1594.68 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Dravite 32008 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9015600 | CIF | C Ca0.147 O3 Sr0.853 | P m c n | 5.0914; 8.3519; 5.9901 90; 90; 90 | 254.716 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K American Mineralogist, 2012, 97, 707-712 |
| 9015601 | CIF | Cl2 Cu H2 O4 Pb3 | P 1 21/m 1 | 6.6972; 5.7538; 10.4686 90; 97.747; 90 | 399.719 | Siidra, O. I.; Krivovichev, S. V.; Turner, R. W.; Rumsey, M. S. Chloroxiphite Pb3CuO2(OH)2Cl2: structure refinement and description in terms of oxocentred OPb4 tetrahedra Mineralogical Magazine, 2008, 72, 793-798 |
| 9015602 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7509; 4.7509; 9.2812 90; 90; 90 | 209.486 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q4, treated at 600 C for 200 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015603 | CIF | Al7.296 B3 Ca0.645 F0.714 Fe0.009 H3.285 Li1.557 Mn0.03 Na0.282 O30.285 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, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015604 | CIF | C Fe O3 | R -3 c :H | 4.523; 4.523; 13.4 90; 90; 120 | 237.404 | 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 P13-1, P = 39.05 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015605 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7533; 4.7533; 9.2876 90; 90; 90 | 209.843 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim1_q0, untreated Mineralogical Magazine, 2006, 70, 319-328 |
| 9015606 | CIF | C Fe O3 | R -3 c :H | 4.355; 4.355; 12.59 90; 90; 120 | 206.791 | 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 P23, P = 51.9 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015607 | CIF | La0.67 Nb2 O6 | P m m m | 3.9105; 3.9197; 7.9142 90; 90; 90 | 121.309 | Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G. Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = 0 Inorganic Materials, 2004, 40, 1324-1330 |
| 9015610 | CIF | Mg1.9 O4 Si0.99 | F d -3 m :2 | 8.0816; 8.0816; 8.0816 90; 90; 90 | 527.828 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 303 K American Mineralogist, 2012, 97, 573-582 |
| 9015611 | CIF | Fe0.183 Li0.91 Mn0.8 O4 P | P b n m | 4.736; 10.432; 6.088 90; 90; 90 | 300.783 | Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F. A structural study of the lithiophilite-sicklerite series Sample 1, colorless The Canadian Mineralogist, 2012, 50, 843-854 |
| 9015613 | CIF | Al96 Ca29.2 Cl2 H20 K14.78 Na79.84 O460 S31 Si102 | P -3 | 12.8742; 12.8742; 87.215 90; 90; 120 | 12518.8 | Camara, F.; Bellatreccia, F.; Della Ventura, G.; Mottana, A.; Bindi, L.; Gunter, M. E.; Sebastiani, M. Fantappieite, a new mineral of the cancrinite-sodalite group with a 33-layer stacking sequence: Occurrence and crystal structure American Mineralogist, 2010, 95, 472-480 |
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