Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9015722 | CIF | Al Ca0.84 F2 Fe10.52 K0.83 Mg3.48 Na3.106 O48 P11.74 Pb0.17 Sr0.16 | C 1 2/c 1 | 16.459; 10.018; 24.597 90; 105.78; 90 | 3902.86 | Steele, I. M. Arrojadite: variations in space group and composition based on four new refinements Sample: arro135C General Meeting of the International Mineralogical Association, 2002, 18, MO2-117 |
| 9015723 | CIF | Hg I2 | P 42/n m c :2 | 4.36; 4.36; 12.337 90; 90; 90 | 234.521 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 100 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9015724 | CIF | Fe0.5 Ni0.5 Sb3 | I m -3 | 9.0904; 9.0904; 9.0904 90; 90; 90 | 751.189 | 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 |
| 9015730 | CIF | Ag16 As4 Fe0.526 Hg0.474 S15 | C 1 2 1 | 26.011; 15.048; 15.513 90; 90.4; 90 | 6071.85 | Bindi, L.; Downs, R. T.; Spry, P. G.; Pinch, W. W.; Menchetti, S. A chemical and structural re-examination of fettelite samples from the type locality, Odenwald, southwest Germany Sample: R100124 Mineralogical Magazine, 2012, 76, 551-566 |
| 9015731 | CIF | Al0.55 Ca2 Fe1.45 O5 | I 2 m b | 5.303; 14.3778; 5.529 90; 90; 90 | 421.561 | 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 = 0.55 Note: P = 6.27 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9015732 | CIF | Al0.05 Ca2 Fe1.703 H Mg0.187 Mn0.06 O15 Si5 | P -1 | 7.458; 12.168; 6.675 86.12; 93.86; 112.27 | 558.71 | Armbruster, T. Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val Calanca, Grisons, Switzerland Schweizerische Mineralogische und Petrographische Mitteilungen, 2000, 80, 279-284 |
| 9015733 | CIF | Ni Ti0.921 | P 1 1 21/m | 2.92617; 4.17272; 4.69631 90; 90; 97.4036 | 56.864 | 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 |
| 9015735 | CIF | C O6 Pb2 S2 | P n m a | 16.32; 8.7616; 4.5809 90; 90; 90 | 655.02 | Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F. Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-01 Mineralogical Magazine, 2011, 75, 2721-2732 |
| 9015736 | CIF | Os S2 | P a -3 | 5.64; 5.64; 5.64 90; 90; 90 | 179.406 | Oftedal, I. Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299 |
| 9015737 | CIF | Ba0.492 Cu O10 Si4 Sr0.508 | P 4/n c c :2 | 7.38813; 7.38813; 15.8516 90; 90; 90 | 865.251 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .492 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015747 | CIF | Fe2 H2 O17 P4 Pb3 | P 41 21 2 | 9.044; 9.044; 16.766 90; 90; 90 | 1371.36 | Mills, S. J.; Kolitsch, U.; Miyawaki, R.; Hatert, F.; Poirier, G.; Kampf, A. R.; Matsubara, S.; Tillmanns, E. Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure with double-strand chains T = 220 C European Journal of Mineralogy, 2010, 22, 595-604 |
| 9015750 | CIF | Ba0.1 Ca Fe0.05 H12.11 K0.5 Mn0.05 Na1.6 Nb1.2 O32.87 Si8 Sr1.4 Ti2.8 Zn0.9 | C 1 m 1 | 14.491; 13.911; 7.822 90; 117.59; 90 | 1397.49 | Rozenberg, K. A.; Rastsvetaeva, R. K.; Pekov, I. V.; Chukanov, N. V. New Zn-rich representative of the labuntsovite group: crystal structure and microtwinning Note: x-coordinate of O15 was changed Doklady Chemistry, 2002, 383, 110-113 |
| 9015752 | CIF | Fe | F m -3 m | 3.509; 3.509; 3.509 90; 90; 90 | 43.207 | 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 M620, P = 19.70 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015753 | CIF | Al Ca Fe9.38 H2 K0.75 Li0.12 Mg0.5 Mn4 Na4.11 O50 P12 | C 1 2/c 1 | 16.526; 10.057; 24.73 90; 105.78; 90 | 3955.27 | Merlino, S.; Mellini, M.; Zanazzi, P. F. Structure of arrojadite, KNa4CaMn4Fe10Al(PO4)12(OH,F)2 Acta Crystallographica, Section B, 1981, 37, 1733-1736 |
| 9015755 | CIF | Ca5 Cl O10.5 Si3 | C m c m | 3.7617; 16.9385; 17.3196 90; 90; 90 | 1103.56 | Galuskin, E. V.; Galuskina, I. O.; Lazic, B.; Armbruster, T.; Zadov, A. E.; Krzykawski, T.; Banasik, K.; Gazeev, V. M.; Pertsev, N. N. Rusinovite, Ca10(Si2O7)3Cl2: a new skarn mineral from the Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia European Journal of Mineralogy, 2011, 23, 837-844 |
| 9015756 | CIF | Al2 Cu0.78 Mg0.22 O4 | F d -3 m :2 | 8.0841; 8.0841; 8.0841 90; 90; 90 | 528.318 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl95b American Mineralogist, 2012, 97, 1821-1827 |
| 9015758 | CIF | Al7.272 B3 Ca0.614 F0.633 Fe0.156 H3.366 Li1.482 Mg0.018 Mn0.057 Na0.311 O30.366 Pb0.006 Si6 Ti0.018 | R 3 m :H | 15.8333; 15.8333; 7.1025 90; 90; 120 | 1542 | 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: L27, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015759 | CIF | Al1.61 Fe0.39 Mg O4 | F d -3 m :2 | 8.146; 8.146; 8.146 90; 90; 90 | 540.547 | 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 650 C Annealing time = 93 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015761 | CIF | C Ca O3 | R -3 c :H | 4.9764; 4.9764; 17.3886 90; 90; 120 | 372.929 | 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 = 620 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015762 | CIF | Ba9.5 Ca3.5 Cl4 H12 O36 Si8 Ti | P 4/m m m | 14; 14; 5.625 90; 90; 90 | 1102.5 | Malinovskii, Y. A.; Pobedimskaya, E. A.; Belov, N. V. Crystal structure of muirite Ba9(Ca,Ba)(Ca,Ti)4(OH)8[Si8O24](Cl,OH)8 Soviet Physics Doklady, 1975, 20, 163-164 |
| 9015763 | CIF | As Ni Rh | P 4/n m m :2 | 3.5498; 3.5498; 6.1573 90; 90; 90 | 77.589 | Vymazalova, A.; Laufek, F.; Drabek, M.; Stanley, C. J.; Baker, R. J.; Bermejo, R.; Garuti, G.; Thalhammer, O.; Proenza, J. A.; Longo, F. Zaccariniite, RhNiAs, a new platinum-group mineral from Loma Peguera, Dominican Republic The Canadian Mineralogist, 2012, 50, 1321-1329 |
| 9015764 | CIF | Ca O13.014 Si4 V | P n m a | 9.4746; 13.262; 9.605 90; 90; 90 | 1206.89 | Danisi, R. M.; Armbruster, T.; Lazic, B. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 175 C American Mineralogist, 2012, 97, 1874-1880 |
| 9015765 | CIF | Fe5 Si3 | P 63/m c m | 6.6193; 6.6193; 4.621 90; 90; 120 | 175.344 | Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A. Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 18.7 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9015766 | CIF | As2 Eu Fe2 | I 4/m m m | 3.9062; 3.9062; 12.1247 90; 90; 90 | 185.004 | Tegel, M.; Rotter, M.; Weiss, V.; Schappacher, F. M.; Pottgen, R.; Johrendt, D. Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2 Note: T = 297 K Journal of Physics: Condensed Matter, 2008, 20, 452201_1-452201_5 |
| 9015767 | CIF | Cl2 Fe | P -3 m 1 | 3.585; 3.585; 5.735 90; 90; 120 | 63.833 | Vettier, C.; Yelon, W. B. The structure of FeCl2 at high pressures Note: P = 5.97 kbar Journal of Physics and Chemistry of Solids, 1975, 36, 401-405 |
| 9015768 | CIF | Cl2 Cu H6 N2 | C m c m | 7.688; 10.645; 5.736 90; 90; 90 | 469.427 | Bojar, H. P.; Walter, F.; Baumgartner, J.; Farber, G. Ammineite, CuCl2(NH3)2, a new species containing an ammine complex: Mineral data and crystal structure Note: T = 100 K The Canadian Mineralogist, 2010, 48, 1359-1371 |
| 9015770 | CIF | Al7.23 B3 Ca0.06 F0.54 Fe0.42 H3.46 Li1.02 Mg0.06 Mn0.18 Na0.73 O30.46 Si6 | R 3 m :H | 15.856; 15.856; 7.1079 90; 90; 120 | 1547.6 | Diego Gatta, G.; Danisi, R. M.; Adamo, I.; Meven, M.; Diella, V. A single-crystal neutron and X-ray diffraction study of elbaite Note: neutron data Physics and Chemistry of Minerals, 2012, 39, 577-588 |
| 9015771 | CIF | Ca O3 Sn | P b n m | 5.4824; 5.6384; 7.8387 90; 90; 90 | 242.31 | 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 = 2.61 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9015775 | CIF | Al2 Ca0.77 H4 O10 Si2 Sr0.23 | P 1 21/m 1 | 5.3025; 13.174; 5.8422 90; 123.72; 90 | 339.448 | 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 #AU83 American Mineralogist, 2010, 95, 724-735 |
| 9015777 | CIF | Al2 Ca O8 Si2 | P 63/m c m | 5.1175; 5.1175; 14.7716 90; 90; 120 | 335.022 | Dimitrijevic, R.; Dondur, V.; Kremenovic, A. Thermally induced phase transformations of Ca-exchanged LTA and FAU zeolite frameworks: Rietveld refinement of the hexagonal CaAl2Si2O8 diphyllosilicate structure Zeolites, 1996, 16, 294-300 |
| 9015778 | CIF | Cr2 O3 | R -3 c :H | 4.9128; 4.9128; 13.4689 90; 90; 120 | 281.528 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 56.8 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9015779 | CIF | Al1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3 | I a -3 d | 11.5826; 11.5825; 11.5826 90; 90; 90 | 1553.87 | Nestola, F.; Merli, M.; Nimis, P.; Parisatto, M.; Kopylova, M.; De Stefano, A.; Longo, M.; Ziberna, L.; Manghnani, M. In situ analysis of garnet inclusion in diamond using single-crystal X-ray diffraction and X-ray micro-tomography Note: uncorrected for pressure inside the diamond European Journal of Mineralogy, 2012, 24, 599-606 |
| 9015780 | CIF | Ba Cr2 O11 P | P -1 | 9.333; 7.779; 7.526 106.28; 105.37; 94.14 | 499.356 | Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Existence d'un nouvel anion condense: Cr2PO10. Structures cristallines de deux phosphochromates de baryum: BaHCr2PO10*H2O et BaHCr2PO10*3H2O Acta Crystallographica, Section B, 1977, 33, 1431-1435 |
| 9015782 | CIF | Al1.461 Fe0.537 Mg1.001 O4 | F d -3 m :2 | 8.1705; 8.1705; 8.1705 90; 90; 90 | 545.439 | 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 = 67,020 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015783 | CIF | Cl Fe H12 O10 S | P 1 21/c 1 | 10.6776; 6.9148; 14.1193 90; 111.407; 90 | 970.558 | Jingliang, Z.; Li, J.; Wei, D. The crystal structure of xitieshanite Kexue Tongbao, 1988, 33, 502-505 |
| 9015784 | CIF | Al7.14 B3.06 Ca0.02 F0.41 H6.39 K0.01 Li0.54 Mn1.341 Na0.67 O30.59 Si5.94 Ti0.039 | R 3 m :H | 15.9461; 15.9461; 7.138 90; 90; 120 | 1571.87 | Bosi, F.; Skogby, H.; Agrosì G; Scandale, E. Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy Note: this dataset represents the standard tourmaline model American Mineralogist, 2012, 97, 989-994 |
| 9015786 | CIF | As2 Ca2 Cu H4 O10 | P 1 21/c 1 | 5.8618; 12.7854; 5.7025 90; 109.425; 90 | 403.049 | Yang, H.; Jenkins, R. A.; Downs, R. T.; Evans, S. H.; Tait, K. T. Rruffite, Ca2Cu(AsO4)2*2H2O, a new member of the roselite group, from Tierra Amarilla, Chile The Canadian Mineralogist, 2011, 49, 877-884 |
| 9015787 | CIF | Cr1.5 Cu S4 Sb0.5 | F d -3 m :2 | 9.993; 9.993; 9.993 90; 90; 90 | 997.901 | Warczewski, J.; Kusz, J.; Filimonov, D. S.; Kessler, Y. A.; Koroleva, L. I.; Mikheev, M. G.; Odintsov, A. G.; Aminov, T. G.; Busheva, E. V.; Shabunina, G. G. New antiferromagnetic semiconductor CuCr1.5Sb0.5S4 Journal of Magnetism and Magnetic Materials, 1997, 175, 299-303 |
| 9015789 | CIF | F2 Pb | F m -3 m | 5.9306; 5.9306; 5.9306 90; 90; 90 | 208.591 | Mills, S. J.; Kartashov, P. M.; Gamyanin, G. N.; Whitfield, P. S.; Kern, A.; Guerault, H.; Kampf, A. R.; Raudsepp, M. Fluorocronite, the natural analogue of beta-PbF2, from the Sakha Republic, Russian Federation European Journal of Mineralogy, 2011, 23, 695-700 |
| 9015790 | CIF | Be O | P 63 m c | 2.7002; 2.7002; 4.3851 90; 90; 120 | 27.689 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 543 K Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9015791 | CIF | O2 Si | P 41 21 2 | 4.908; 4.908; 6.784 90; 90; 90 | 163.416 | Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T. New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 0.6 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9015793 | CIF | H13.64 Mg4 O22.82 Si6 | P n c n | 13.395; 27.016; 5.2765 90; 90; 90 | 1909.46 | Giustetto, R.; Levy, D.; Wahyudi, O.; Ricchiardi, G.; Vitillo, J. G. Crystal structure refinement of a sepiolite/indigo Maya Blue pigment using molecular modelling and synchrotron diffraction European Journal of Mineralogy, 2011, 23, 449-466 |
| 9015794 | CIF | Mn3 Si | F m -3 m | 5.722; 5.722; 5.722 90; 90; 90 | 187.346 | Aronsson, B. A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2 Acta Chemica Scandinavica, 1960, 14, 1414-1418 |
| 9015795 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7516; 4.7516; 9.2258 90; 90; 90 | 208.297 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim19_q1, treated at 750 C for 40 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015796 | CIF | Al8.88 B5.22 H Na0.77 O31 Si3.78 | R 3 m :H | 15.5996; 15.5996; 7.0224 90; 90; 120 | 1479.94 | Marler, B.; Borowski, M.; Wodara, U.; Schreyer, W. Synthetic tourmaline (olenite) with excess boron replacing silicon in the tetrahedral site: II. Structure analysis Sample: 1 European Journal of Mineralogy, 2002, 14, 763-771 |
| 9015797 | CIF | As S | C 1 2/c 1 | 9.967; 9.355; 8.921 90; 102.52; 90 | 812.025 | Zoppi, M.; Pratesi, G. The dual behavior of the beta-As4S4 altered by light American Mineralogist, 2012, 97, 890-896 |
| 9015798 | CIF | C0.409 Al4 Ca1.352 Cl0.55 Fe0.012 K0.16 Na2.188 O25.388 S0.04 Si8 Sr0.016 | P 42/n :2 | 12.07899; 12.07899; 7.583467 90; 90; 90 | 1106.44 | Antao, S. M.; Hassan, I. Complete Al-Si order in scapolite Me37.5, ideally Ca3Na5[Al8Si16O48]Cl(CO3), and implications for antiphase domain boundaries (APBs) The Canadian Mineralogist, 2011, 49, 581-586 |
| 9015799 | CIF | Bi4 Cu0.73 Pb3.695 S10 | P n m a | 23.816; 4.0408; 19.057 90; 90; 90 | 1833.96 | Topa, D.; Makovicky, E. The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 4 The Canadian Mineralogist, 2010, 48, 1081-1107 |
| 9015800 | CIF | Al0.798 B3 Cr5.322 F0.46 H2.67 Mg2.073 Na O30.54 Si5.898 Ti0.039 V0.87 | R 3 m :H | 16.1121; 16.1121; 7.3701 90; 90; 120 | 1656.95 | Bosi, F.; Reznitskii, L.; Skogby, H. Oxy-chromium-dravite, NaCr3(Cr4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup American Mineralogist, 2012, 97, 2024-2030 |
| 9015801 | CIF | Cs H5 O12 Se U2 | P -1 | 8.6877; 8.7164; 8.9589 95.964; 99.155; 117.318 | 582.847 | Wylie, E. M.; Burns, P. C. Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 3 The Canadian Mineralogist, 2012, 50, 147-157 |
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