Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 9015698 | CIF | Al6.5 Ca5 Mg0.75 O17 Si0.75 | P m m n :2 | 27.638; 10.799; 5.123 90; 90; 90 | 1529.03 | Hanic, F.; Handlovic, M.; Kapralik, I. The structure of a quaternary phase Ca20Al32-2vMgvSivO68 Acta Crystallographica, Section B, 1980, 36, 2863-2869 |
| 9015700 | CIF | Ca2 O16 Ti2 Zr5 | P b c a | 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 |
| 9015702 | CIF | Cl Tl | P m -3 m | 3.901; 3.901; 3.901 90; 90; 90 | 59.365 | Roberts, A. C.; Venance, K. E.; Seward, T. M.; Grice, J. D.; Paar, W. H. Lafossaite, a new mineral from the La Fossa Crater, Vulcano, Italy The Mineralogical Record, 2006, 37, 165-168 |
| 9015703 | CIF | B10 Cl2 H2 O19 Pb4 | P n n 2 | 11.376; 11.505; 6.5568 90; 90; 90 | 858.16 | Brugger, J.; Meisser, N.; Ansermat, S.; Krivovichev, S. V.; Kahlenberg, V.; Belton, D.; Ryan, C. G. Leucostaurite, Pb2[B5O9]Cl*0.5H2O, from the Atacama Desert: The first Pb-dominant member of the hilgardite group, and micro-determination of boron minerals by PIGE American Mineralogist, 2012, 97, 1206-1212 |
| 9015705 | CIF | Al1.611 Fe0.388 Mg O4 | F d -3 m :2 | 8.1457; 8.1457; 8.1457 90; 90; 90 | 540.487 | 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 550 C Annealing time = 11,100 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015706 | CIF | C0.39 Al0.3 Ca3 O25 S1.57 Si0.7 | P 63 | 11.1178; 11.1178; 10.5381 90; 90; 120 | 1128.06 | Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B. The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample G-3049, powder Mineralogical Magazine, 2012, 76, 1133-1152 |
| 9015709 | CIF | Al1.46 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.1693; 8.1693; 8.1693 90; 90; 90 | 545.198 | 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 = 22,620 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015710 | CIF | Al2.08 Ca2 Fe0.39 H Mn0.53 O13 Si3 | P 1 21/m 1 | 8.8904; 5.6606; 10.176 90; 115.455; 90 | 462.393 | Nagashima, M.; Akasada, M. X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.5, run 21 American Mineralogist, 2010, 95, 1237-1246 |
| 9015711 | CIF | As S | P 1 21/n 1 | 9.3272; 13.566; 6.5903 90; 106.433; 90 | 799.826 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 0 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9015712 | CIF | Al7.14 B3 Ca0.61 F0.633 Fe0.12 H3.336 Li1.614 Mg0.057 Mn0.06 Na0.322 O30.336 Pb0.007 Si6 Ti0.006 | R 3 m :H | 15.8438; 15.8438; 7.1043 90; 90; 120 | 1544.44 | 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: L25, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015713 | CIF | Cl2 Fe | R -3 m :H | 3.58; 3.58; 17.54 90; 90; 120 | 194.682 | Herpin, A.; Meriel, P. Etude par diffraction de neutrons a 4.2 K de la structure antiferromagnetique de Cl2Fe Note: T = 4.2 K Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1957, 245, 650-653 |
| 9015714 | CIF | Cu O | C 1 2/c 1 | 4.6791; 3.4805; 5.1183 90; 98.5981; 90 | 82.418 | 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 = 36 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9015715 | CIF | Ba O3 Ti | A m m 2 | 4.0094; 5.6214; 5.6386 90; 90; 90 | 127.085 | Xiao, C. J.; Jin, C. Q.; Wang, X. H. Crystal structure of dense nanocrystalline BaTiO3 ceramics Note: phase O (orthorhombic) Materials Chemistry and Physics, 2008, 111, 209-212 |
| 9015716 | CIF | Al1.461 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.1685; 8.1685; 8.1685 90; 90; 90 | 545.038 | 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 = 2460 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015717 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9541; 7.9494; 5.7186 90; 90; 90 | 225.211 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 184 K American Mineralogist, 2012, 97, 707-712 |
| 9015720 | CIF | Ca2 Fe2 O5 | P n m a | 5.3522; 14.5621; 5.5354 90; 90; 90 | 431.425 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 5.564 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9015721 | CIF | Cu3 H6 O11 V2 | I 1 a 1 | 10.646; 5.867; 14.432 90; 95.19; 90 | 897.728 | Kashaev, A. A.; Rozhdestvenskaya, I. V.; Bannova, I. I.; Sapozhnikov, A. N.; Glebova, O. D. Balance, uniformity, and asymmetry of the structure of volborthite Cu3(OH)2(V2O7)*2H2O Journal of Structural Chemistry, 2008, 49, 708-711 |
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