Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9015614 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7497; 4.7497; 9.253 90; 90; 90 | 208.744 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q2, treated at 750 C for 120 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015615 | CIF | Bi2 Pb3 S6 | B b m m | 13.28; 20.26; 4.0448 90; 90; 90 | 1088.27 | Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 2.90 GPa Note: occupancies not refined Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9015616 | CIF | Ba O3 Ti | R 3 m :R | 4.0035; 4.0035; 4.0035 89.843; 89.843; 89.843 | 64.167 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 40 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9015620 | CIF | Al2 O4 Zn | F d -3 m :2 | 8.08514; 8.08514; 8.08514 90; 90; 90 | 528.521 | Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.000, Co content = 0.00 apfu American Mineralogist, 2012, 97, 1394-1401 |
| 9015621 | CIF | B7 Cl Fe3 O13 | R 3 c :H | 8.6231; 8.6231; 21.0503 90; 90; 120 | 1355.55 | Mendoza-Alvarez M E; Yvon, K.; Depmeier, W.; Schmid, H. Structure refinement of trigonal iron-chlorine boracite Acta Crystallographica, Section C, 1985, 41, 1551-1552 |
| 9015622 | CIF | Ca5 H18 O32 Si9 | P -1 | 9.69; 7.28; 22.02 92.7; 100.1; 110.9 | 1418.48 | Merlino, S. Okenite, Ca10Si18O46*18H2O: the first example of a chain and sheet silicate American Mineralogist, 1983, 68, 614-622 |
| 9015623 | CIF | Al3 K O12 Si3 | C 1 2/c 1 | 5.189; 8.995; 20.09698 90; 95.18; 90 | 934.197 | Gatineau, L. Localisation des remplacements isomorphiques dans la muscovite Note: polytype Muscovite 2M1 _cod_database_code 1000042 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1963, 256, 4648-4649 |
| 9015624 | CIF | Al2.916 H6.117 K0.876 Na0.071 O14.039 S2 | R -3 m :H | 6.9806; 6.9806; 17.425 90; 90; 120 | 735.341 | Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 200 C Mineralogical Magazine, 2012, 76, 613-623 |
| 9015625 | CIF | Bi6.188 Cd0.812 In0.208 Pb3.792 S13.539 Se0.461 | P 1 21/m 1 | 15.4172; 4.0582; 20.8071 90; 98.031; 90 | 1289.05 | Borisov, S. V.; Pervukhina, N. V.; Magarill, S. A.; Kuratieva, N. V.; Bryzgalov, I. A.; Mozgova, N. N.; Chaplygin, I. V. The crystal structure of (Cd,In)-rich cannizzarite from Kudriavy Volcano, Iturup Island, Kuriles, Russia The Canadian Mineralogist, 2012, 50, 387-395 |
| 9015626 | CIF | Al2 Co0.07 Mg0.93 O4 | F d -3 m :2 | 8.0851; 8.0851; 8.0851 90; 90; 90 | 528.514 | 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: CoAl0.5 American Mineralogist, 2012, 97, 1834-1840 |
| 9015629 | CIF | Be H2 O2 | P 21 21 21 | 4.53; 4.621; 7.048 90; 90; 90 | 147.537 | 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 |
| 9015631 | CIF | Ag1.041 Mn0.919 Pb3 S12 Sb5.041 | P 1 21/n 1 | 19.3462; 12.7251; 8.7472 90; 90.017; 90 | 2153.41 | Yang, H.; Downs, R. T.; Evans, S. H.; Feinglos, M. N.; Tait, K. T. Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with ramdohrite and fizelyite Note: Sample ID R070760 American Mineralogist, 2011, 96, 1186-1189 |
| 9015634 | CIF | Al4 F4 H4 K0.65 Li0.672 Mn1.35 O16 Si4 | C c c a :2 | 13.715; 20.302; 5.138 90; 90; 90 | 1430.64 | Ghose, S.; Sen Gupta, P. K.; Boggs, R. C.; Schlemper, E. O. Crystal chemistry of a nonstoichiometric carpholite, Kx(Mn2-x,Lix)Al4Si4O12(OH)4F4: A chain silicate related to pyroxenes American Mineralogist, 1989, 74, 1084-1090 |
| 9015636 | CIF | Cu Fe S2 | I -4 2 d | 5.28563; 5.28563; 10.41917 90; 90; 90 | 291.09 | Knight, K. S.; Marshall, W. G.; Zochowski, S. W. The low-temperature and high-pressure thermoelastic and structural properties of chalcopyrite, CuFeS2 T = 4.2 K The Canadian Mineralogist, 2011, 49, 1015-1034 |
| 9015638 | CIF | B2 Mn | P 6/m m m | 3.007; 3.007; 3.037 90; 90; 120 | 23.782 | Aronsson, B. A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2 Acta Chemica Scandinavica, 1960, 14, 1414-1418 |
| 9015640 | CIF | Fe Mn O4 Si | P b n m | 4.86184; 10.58358; 6.1695 90; 90; 90 | 317.456 | Redfern, S. A. T.; Knight, K. S.; Henderson, C. M. B.; Wood, B. J. Fe-Mn cation ordering in fayalite-tephroite (FexMn1-x)2SiO4 olivines: A neutron diffraction study Mineralogical Magazine, 1998, 62, 607-615 |
| 9015642 | CIF | As Cu3 S4 | P m n 21 | 7.4127; 6.4404; 6.1577 90; 90; 90 | 293.973 | Karanovic, L.; Cvetkovic, L.; Poleti, D.; Balic-Zunic T; Makovicky, E. Crystal and absolute structure of enargite from Bor (Serbia) Neues Jahrbuch fur Mineralogie, Monatshefte, 2002, 2002, 241-253 |
| 9015643 | CIF | Mg0.096 O1.904 Zr0.904 | F m -3 m | 5.0858; 5.0858; 5.0858 90; 90; 90 | 131.546 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 1, O atom not displaced Acta Crystallographica, Section B, 1988, 44, 116-120 |
| 9015646 | CIF | Al7.452 B3.336 Be0.012 Ca0.145 Fe1.203 H6.19 Li0.189 Mg0.087 Mn0.024 Na0.632 O31 Si5.526 Ti0.027 | R 3 m :H | 15.9013; 15.9013; 7.1213 90; 90; 120 | 1559.39 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T5 American Mineralogist, 2004, 89, 447-454 |
| 9015647 | CIF | Al1.46 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.1687; 8.1687; 8.1687 90; 90; 90 | 545.078 | 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 = 11,100 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015649 | CIF | C H Nd O4 | P n m a | 7.2333; 4.964; 8.4908 90; 90; 90 | 304.872 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9015650 | CIF | C Fe O3 | R -3 c :H | 4.539; 4.539; 13.8 90; 90; 120 | 246.224 | 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 P10, P = 30.6 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015651 | CIF | Ca O3 Sn | P b n m | 5.5142; 5.6634; 7.88162 90; 90; 90 | 246.136 | Zhao, J.; Ross, N. L.; Angel, R. J. Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 0.0 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9015653 | CIF | Cr2 O3 | R -3 c :H | 4.8152; 4.8152; 13.242 90; 90; 120 | 265.897 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 24.1 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9015654 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.0271; 5.4473; 9.8119 90; 90; 90 | 856.622 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 7.766 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9015655 | CIF | Al1.9 Be3 Cr0.1 H2 O19 Si6 | P 6/m c c | 9.214; 9.214; 9.218 90; 90; 120 | 677.741 | Gibbs, G. V.; Breck, D. W.; Meagher, E. P. Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: hydrous emerald Lithos, 1968, 1, 275-285 |
| 9015658 | CIF | Mg2 O4 Si | P n m a | 10.20141; 5.98348; 4.75534 90; 90; 90 | 290.266 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1 Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9015659 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.0539; 5.4609; 9.8437 90; 90; 90 | 862.985 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 6.511 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9015660 | CIF | H8 Mo O10 U | P 1 21/c 1 | 6.32; 7.5; 57.8 90; 94; 90 | 2733.05 | Makarov, E. S.; Anikina, L. I. Crystal structure of umohoite (UMoO6(H2O)2)*2H2O Geochemistry, 1963, 1, 14-21 |
| 9015661 | CIF | O24 P6 S Sr10 | P -3 | 9.8077; 9.8077; 7.2089 90; 90; 120 | 600.529 | Henning, P. A.; Adolfsson, E.; Grins, J. The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se Zeitschrift fur Kristallographie, 2000, 215, 226-230 |
| 9015662 | CIF | O2 Ti | P 42/m n m | 4.5937; 4.5937; 2.9587 90; 90; 90 | 62.435 | Howard, C. J.; Sabine, T. M.; Dickson, F. Structural and thermal parameters for rutile and anatase Acta Crystallographica, Section B, 1991, 47, 462-468 |
| 9015664 | CIF | Al1.459 Fe0.537 Mg1.003 O4 | F d -3 m :2 | 8.1707; 8.1707; 8.1707 90; 90; 90 | 545.479 | 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 = 97,260 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015669 | CIF | Ca4.28 Ce0.9 F2.7 Na1.82 Nb0.05 O15.3 Si4 Ti0.86 Zr0.09 | P 1 21/c 1 | 7.421; 5.709; 19.019 90; 101.23; 90 | 790.34 | Bellezza, M.; Merlino, S.; Perchiazzi, N.; Raade, G. <<Johnstrupite>>: a chemical and structural study Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A, 2009, 114, 1-3 |
| 9015670 | CIF | Fe S4 Sb2 | P n a m | 11.1063; 13.6291; 3.7249 90; 90; 90 | 563.834 | Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 3.72 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
| 9015672 | CIF | Bi Mo2 O10 | P 1 21/m 1 | 5.7797; 11.567; 6.3344 90; 113.36; 90 | 388.767 | Orlandi, P.; Pasero, M.; Bigi, S. Sardignaite, a new mineral, the second known bismuth molybdate: description and crystal structure Mineralogy and Petrology, 2010, 100, 17-22 |
| 9015674 | CIF | Ba Na2 O14 Si4 Ti2 | I m a 2 | 10.4; 13.85; 8.1 90; 90; 90 | 1166.72 | Nikitin, A. V.; Belov, N. V. Crystal structure of batisite, Na2BaTi2Si4O14 = Na2BaTi2O2[Si4O12] Doklady Akademii Nauk SSSR, 1962, 146, 1401-1403 |
| 9015676 | CIF | As H O5 Zn2 | P -1 | 5.638; 5.827; 6.692 103.25; 104.37; 87.72 | 207.268 | Hawthorne, F. C. Paradamite Acta Crystallographica, Section B, 1979, 35, 720-722 |
| 9015677 | CIF | Ca0.32 Ce0.01 Dy0.03 Er0.03 F0.17 Fe0.01 Gd0.01 Ho0.01 Mn0.01 Na0.39 Nb0.02 Nd0.01 O4.83 Si Sn0.01 Ti0.94 Tm0.01 V0.01 Y0.15 Yb0.03 | C 1 2/c 1 | 6.5691; 8.6869; 7.0924 90; 114.127; 90 | 369.372 | Stepanov, A. V.; Bekenova, G. K.; Levin, V. L.; Hawthorne, F. C. Natrotitanite, ideally (Na0.5Y0.5)Ti(SiO4)O, a new mineral from the Verkhnee Espe deposit, Akjailyautas mountains, Eastern Kazakhstan district, Kazakhstan: description and crystal structure Mineralogical Magazine, 2012, 76, 37-44 |
| 9015678 | CIF | Al7.209 B3 Ca0.583 F0.647 Fe0.015 H3.353 Li1.491 Mg0.06 Mn0.033 Na0.345 O30.353 Pb0.006 Si6 Ti0.009 | R 3 m :H | 15.8449; 15.8449; 7.1053 90; 90; 120 | 1544.87 | 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: L13, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015679 | CIF | H47.44 Mg Na4 O51.72 V10 | P -1 | 9.0453; 11.3337; 11.7372 105.223; 97.383; 100.79 | 1120.3 | Colombo, F.; Baggio, R.; Kampf, A. R. The crystal structure of the elusive huemulite The Canadian Mineralogist, 2011, 49, 849-864 |
| 9015680 | CIF | Al1.9 Be3 Cr0.1 O18 Si6 | P 6/m c c | 9.219; 9.219; 9.198 90; 90; 120 | 677.005 | Gibbs, G. V.; Breck, D. W.; Meagher, E. P. Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: anhydrous emerald Lithos, 1968, 1, 275-285 |
| 9015681 | CIF | Na1.86 Nb2 Nd0.05 O6 | P b c m | 5.5018; 5.5598; 15.551 90; 90; 90 | 475.688 | 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: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = .62, Nd.05Na1.86Nb2O6 Inorganic Materials, 2004, 40, 1324-1330 |
| 9015683 | CIF | Cu0.93 H6 O15 P2 U2 | P 1 21 1 | 14.4979; 7.0159; 6.6312 90; 107.585; 90 | 642.978 | Stubbs, J. E.; Post, J. E.; Elbert, D. C.; Heaney, P. J.; Veblen, D. R. Uranyl phosphate sheet reconstruction during dehydration of metatorbernite [Cu(UO2)2(PO4)2*8H2O] Note: This is the 6.9 Angstrom phase while heating at 173 C American Mineralogist, 2010, 95, 1132-1140 |
| 9015685 | CIF | C Fe O3 | R -3 c :H | 4.343; 4.343; 12.497 90; 90; 120 | 204.134 | 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 P26, P = 55.96 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015687 | CIF | Fe | F m -3 m | 3.494; 3.494; 3.494 90; 90; 90 | 42.655 | 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 M605, P = 22.44 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015689 | CIF | Ca H8 O15 Si4 V | P c m n | 9.7518; 13.6854; 9.5965 90; 90; 90 | 1280.72 | Hughes, J. M.; Derr, R. S.; Cureton, F.; Campana, C. F.; Druschel, G. The crystal structure of cavansite: location of the H2O molecules and hydrogen atoms in Ca(VO)(Si4O10)*4H2O Note: T = 100 K The Canadian Mineralogist, 2011, 49, 1267-1272 |
| 9015690 | CIF | Ca4.974 Cl0.06 F0.76 H0.18 Na0.026 O12.18 P2.844 S0.066 Si0.09 | P 63/m | 9.3687; 9.3687; 6.8739 90; 90; 120 | 522.507 | Baikie, T.; Schreyer, M. K.; Wong, C. L.; Pramana, S. S.; Klooster, W. T.; Ferraris, C.; McIntyre, G. J.; White, T. J. A multi-domain gem-grade Brazilian apatite Note: single-crystal X-ray at T = 100 K American Mineralogist, 2012, 97, 1574-1581 |
| 9015691 | CIF | C Ca O3 | R -3 c :H | 4.9771; 4.9771; 17.3369 90; 90; 120 | 371.925 | 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 = 540 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015692 | CIF | Cr2 O3 | R -3 c :H | 4.714; 4.714; 13.029 90; 90; 120 | 250.738 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 44.8 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9015694 | CIF | Mn O2 | P 42/m n m | 4.388; 4.388; 2.865 90; 90; 120 | 47.774 | Kondrashev, Y. D.; Zaslavskii, A. I. The structure of the modifications of manganese oxide Izvestiya Akademii Nauk SSSR, 1951, 15, 179-186 |
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