Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 9015802 | CIF | B7 Cl Mg3 O13 | F -4 3 c | 12.1; 12.1; 12.1 90; 90; 90 | 1771.56 | Ito, T.; Morimoto, N.; Sadanaga, R. The crystal structure of boracite Note: high boracite Note: T = 300 C Acta Crystallographica, 1951, 4, 310-316 |
| 9015803 | CIF | Fe Ge2 Li O6 | C 1 2/c 1 | 9.5; 8.711; 5.127 90; 101.55; 90 | 415.691 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 4.83 GPa American Mineralogist, 2009, 94, 616-621 |
| 9015805 | CIF | Be O | P 63 m c | 2.6825; 2.6825; 4.3525 90; 90; 120 | 27.124 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 4.0 GPa Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9015806 | CIF | Al11 Fe0.783 H Mg4.217 O24 Ti | P 63 m c | 5.7105; 5.7105; 27.676 90; 90; 120 | 781.596 | Shimura, T.; Akai, J.; Lazic, B.; Armbruster, T.; Shimizu, M.; Kamei, A.; Tsukada, K.; Owada, M.; Yuhara, M. Magnesiohogbomite-2N4S: A new polysome from the central Sor Rondane Mountains, East Antarctica American Mineralogist, 2012, 97, 268-280 |
| 9015807 | CIF | Al2.25 Ca2 Cr0.31 Fe0.03 H2 Mg0.4 Mn0.01 O14 Si3 | C 1 2/m 1 | 19.105; 5.9021; 8.8143 90; 97.513; 90 | 985.365 | Hamada, M.; Akasaka, M.; Seto, S.; Makino, K. Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1028 American Mineralogist, 2010, 95, 1294-1304 |
| 9015808 | CIF | Ca H8 O15 Si4 V | P n m a | 9.6329; 13.6606; 9.7949 90; 90; 90 | 1288.92 | Danisi, R. M.; Armbruster, T.; Lazic, B. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: room temperature American Mineralogist, 2012, 97, 1874-1880 |
| 9015809 | CIF | Mg O3 Si | P b c a | 18.204; 8.81; 5.1731 90; 90; 90 | 829.648 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 0.22(3) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9015811 | CIF | Al6.81 As0.093 B O17.884 Sb0.023 Si2.884 | P n m a | 4.6971; 11.8149; 20.2267 90; 90; 90 | 1122.5 | Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D21 The Canadian Mineralogist, 2012, 50, 855-872 |
| 9015812 | CIF | La0.2 Nb2 O6 Sr0.8 | P n m a | 11.042; 7.644; 5.563 90; 90; 90 | 469.545 | 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 |
| 9015813 | CIF | Ni Ti | P 1 1 21/m | 2.8758; 4.12644; 4.6325 90; 90; 96.964 | 54.567 | Sitepu, H. Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Annealed Powder Diffraction, 2009, 24, 315-326 |
| 9015815 | CIF | Ca O3 Sn | P b n m | 5.43626; 5.60235; 7.77743 90; 90; 90 | 236.868 | 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 = 6.73 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9015816 | CIF | Al0.02 Ba0.85 Ca0.15 Fe0.26 K0.72 Mg0.08 Mn0.04 Na1.26 Nb0.16 O14 Si4 Ti1.24 Zr0.02 | I m m a | 8.0884; 10.497; 13.9372 90; 90; 90 | 1183.32 | Uvarova, Y. A.; Sokolova, E.; Hawthorne, F. C.; Liferovich, R. P.; Mitchell, R. H.; Pekov, I. V.; Zadov, A. E. Noonkanbahite, BaKNaTi2(Si4O12)O2, a new mineral sepcies: description and crystal structure Mineralogical Magazine, 2010, 74, 441-450 |
| 9015817 | CIF | Al8.652 B3.252 Ca0.01 F0.04 Fe0.039 H4.85 Li0.33 Mn0.249 Na0.46 O30.96 Si5.472 Ti0.009 | R 3 m :H | 15.8031; 15.8031; 7.0877 90; 90; 120 | 1532.92 | Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T. Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT1 Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6 (Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04] Tourmaline American Mineralogist, 2005, 90, 481-487 |
| 9015819 | CIF | Ca O8 Ti Zr2.5 | I 41/a c d :2 | 15.189; 15.189; 10.111 90; 90; 90 | 2332.67 | Rastsvetaeva, R. K.; Pushcharovskii, D. Y.; Spiridonov, E. M.; Gekimyants, V. M. Crystal structure of ordered calzirtite Ca2Zr5Ti2O16 magnetite deposit, Russia Crystallography Reports, 1995, 40, 746-748 |
| 9015820 | CIF | S7 Sb4 Sn | P 1 21/m 1 | 11.331; 3.865; 13.94 90; 105.281; 90 | 588.909 | Topa, D.; Makovicky, E.; Schimper, H. J.; Stadler, A.; Basch, A.; Dittrich, H.; Amthauer, G. The crystal structure of SnSb4S7, a new member of the meneghinite homologous series The Canadian Mineralogist, 2010, 48, 1119-1126 |
| 9015822 | CIF | Cu O | C 1 2/c 1 | 4.6776; 3.4593; 5.1264 90; 98.9645; 90 | 81.938 | 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 = 10 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9015824 | CIF | Na Nb0.8 O2.9 Ti0.2 | P b m a | 5.5303; 15.5677; 5.5072 90; 90; 90 | 474.137 | Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A. A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.2 Chemistry of Materials, 2003, 15, 1872-1878 |
| 9015826 | CIF | Al2.729 Ca1.95 Cr0.052 F0.06 Fe2.65 K0.54 Mg1.393 Mn0.03 Na0.47 O23.94 Si5.92 Ti0.226 | C 1 2/m 1 | 9.937; 18.108; 5.335 90; 105.3; 90 | 925.952 | Banno, Y.; Miyawaki, R.; Matsubara, S.; Sato, E.; Nakai, I.; Matsuo, G.; Yamada, S. Potassic-ferropargasite, a new member of the amphibole group, from Kabutoichiba, Mie Prefecture, central Japan Journal of Mineralogical and Petrological Sciences, 2009, 104, 374-382 |
| 9015827 | CIF | Al8.16 B3 F0.1 H3.83 Li0.84 Na0.43 O30.9 Si6 | R 3 m :H | 15.77; 15.77; 7.085 90; 90; 120 | 1525.93 | Selway, J. B.; Novak, M.; Hawthorne, F. C.; Cerny, P.; Ottolini, L.; Kyser, T. K. Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline: Description and crystal structure American Mineralogist, 1998, 83, 896-900 |
| 9015828 | CIF | C Fe O3 | R -3 c :H | 4.518; 4.518; 13.457 90; 90; 120 | 237.887 | 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 P13-2, P = 39.0 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015830 | CIF | Al1.84 Ca0.93 Fe0.16 H18 Mg0.04 Mn2.96 O26 P4 Zn0.07 | P 1 2/a 1 | 15.02; 6.959; 10.137 90; 111.74; 90 | 984.199 | Yakovenchuk, V. N.; Keck, E.; Krivovichev, S. V.; Pakhomovsky, Y. A.; Selivanova, E. A.; Mikhailova, J. A.; Chernyatieva, A. P.; Ivanyuk, G. Y. Whiteite-(CaMnMn), CaMnMn2Al2[PO4]4(OH)2*8H2O, a new mineral from the Hagendorf-Sud granitic pegmatite, Germany Mineralogical Magazine, 2012, 76, 2761-2771 |
| 9015831 | CIF | Fe6 H12 K0.371 O34 Pb0.677 S4 | R -3 m :H | 7.3185; 7.3185; 33.7274 90; 90; 120 | 1564.44 | Basciano, L. C.; Peterson, R. C. A crystallographic study of the incomplete solid-solution between plumbojarosite and jarosite Note Sample G The Canadian Mineralogist, 2010, 48, 651-659 |
| 9015834 | CIF | Al0.08 As1.482 Fe2.81 H10 O14 P0.526 | P 1 21/c 1 | 10.2; 9.718; 5.5432 90; 94.05; 90 | 548.09 | Kolitsch, U.; Atencio, D.; Chukanov, N. V.; Zubkova, N. V.; Menezes, L. A. D.; Coutinho, J. M. V.; Birch, W. D.; Schluter, J.; Pohl, D.; Kampf, A. R.; Steele, I. M.; Favreau, G.; Nasdala, L.; Mockel, S.; Giester, G.; Pushcharovsky, D. Y. Bendadaite, a new iron arsenate mineral of the arthurite group Mineralogical Magazine, 2010, 74, 469-486 |
| 9015835 | CIF | C Ca O3 | R -3 c :H | 4.974; 4.974; 17.261 90; 90; 120 | 369.835 | 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 = 398 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015837 | CIF | Ca3.5 Na4.5 O18 Si6 | P 32 | 10.464; 10.464; 13.176 90; 90; 120 | 1249.42 | Fischer, R. X.; Tillmanns, E. Die Kristallstrukturen von naturlichem Na2Ca2Si3O9 vom Mt.Shaheru (Zaire) und aus dem Mayener Feld (Eifel) Note: this is the low-temperature form of combeite Neues Jahrbuch fur Mineralogie, Monatshefte, 1983, 1983, 49-59 |
| 9015839 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7526; 4.7526; 9.2501 90; 90; 90 | 208.934 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim14_q1, treated at 600 C for 20 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015840 | CIF | Cu1.84 S | F m -3 m | 5.564; 5.564; 5.564 90; 90; 90 | 172.251 | Yamamoto, K.; Kashida, S. X-ray study of the average structures of Cu2Se and Cu1.8S in the room temperature and the high temperature phases Note: Sample: Cu1.8S (low), T = 300 K Journal of Solid State Chemistry, 1991, 93, 202-211 |
| 9015841 | CIF | Cu O | C 1 2/c 1 | 4.6844; 3.4792; 5.1215 90; 98.6836; 90 | 82.513 | 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 = 32 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9015842 | CIF | Fe S2 | P a -3 | 5.414; 5.414; 5.414 90; 90; 90 | 158.692 | 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 |
| 9015843 | CIF | Al Fe H18 O21 S3 | P -3 1 c | 10.7065; 10.7065; 17.3077 90; 90; 120 | 1718.17 | Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I. Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals Note: sample vulc2 The Canadian Mineralogist, 2010, 48, 323-333 |
| 9015844 | CIF | Cu H16 O20 P2 U2 | P 4/n :2 | 6.96519; 6.96519; 17.3102 90; 90; 90 | 839.785 | 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 8.7 Angstrom phase while heating at 31.5 C American Mineralogist, 2010, 95, 1132-1140 |
| 9015845 | CIF | Al1.46 Fe0.537 Mg1.001 O4 | F d -3 m :2 | 8.1703; 8.1703; 8.1703 90; 90; 90 | 545.399 | 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 = 3 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015847 | CIF | Fe Ge2 Li O6 | P 1 21/c 1 | 9.801; 8.769; 5.331 90; 108.66; 90 | 434.088 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 2.54 GPa American Mineralogist, 2009, 94, 616-621 |
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