Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9014777 | CIF | Ca0.2 F O12 P3 Sr4.8 | P 63/m | 9.845; 9.845; 7.383 90; 90; 120 | 619.719 | Pekov, I. V.; Britvin, S. N.; Zubkova, N. V.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S. Stronadelphite, Sr5(PO4)3F, a new apatite-group mineral in the southern part of the Khibiny alkaline complex, Kola peninsula, Russia European Journal of Mineralogy, 2010, 22, 869-874 |
| 9014779 | CIF | As1.78 H20 Mg0.31 Ni0.69 O22 P0.22 U2 | I -1 | 7.1; 7.125; 19.955 92.406; 94.924; 90.42 | 1004.8 | Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Bryzgalov, I. A.; Zadov, A. E.; Chukanov, N. V. New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: I. Rauchite, Ni(UO2)2(AsO4)2*10H2O, a member of the autunite group European Journal of Mineralogy, 2012, 24, 913-922 |
| 9014781 | CIF | Al H24 O20 Rb S2 | P a -3 | 12.243; 12.243; 12.243 90; 90; 90 | 1835.12 | Larson, A. C.; Cromer, D. T. Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O Acta Crystallographica, 1967, 22, 793-800 |
| 9014783 | CIF | Fe5 Si3 | P 63/m c m | 6.5771; 6.5771; 4.593 90; 90; 120 | 172.066 | 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 = 22.6 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9014784 | CIF | Fe H4 K3 O19 S4 Ti | C 1 2/c 1 | 7.55943; 16.7923; 12.1783 90; 94.076; 90 | 1542.01 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Williams, P. A.; Dini, M. Alcaparrosaite, K3Ti4+Fe3+(SO4)4O(H2O)2, a new hydrophobic Ti4+ sulfate from Alcaparrosa, Chile Mineralogical Magazine, 2012, 76, 851-861 |
| 9014785 | CIF | Mg1.88 O4 Si0.96 | F d -3 m :2 | 8.0947; 8.0947; 8.0947 90; 90; 90 | 530.398 | 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: at room T after heating to T = 635 K American Mineralogist, 2012, 97, 573-582 |
| 9014786 | CIF | Al2 Ca0.507 H4 O10 Si2 Sr0.493 | P 1 21/m 1 | 5.364; 13.2175; 5.8452 90; 124.25; 90 | 342.553 | 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 #AU82 American Mineralogist, 2010, 95, 724-735 |
| 9014789 | CIF | Fe | F m -3 m | 3.521; 3.521; 3.521 90; 90; 90 | 43.651 | 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 = 17.59 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014791 | CIF | As2 Ca2 Fe3 H32.148 K0.602 Mo8 O53.074 | C 1 2/m 1 | 19.44; 11.096; 15.25 90; 131.28; 90 | 2472.06 | Schmetzer, K.; Nuber, B.; Tremmel, G. Betpakdalite from Tsumeb, Namibia: mineralogy, crystal chemistry and structure Neues Jahrbuch fur Mineralogie, Monatshefte, 1984, 1984, 393-403 |
| 9014793 | CIF | Ba0.66 Bi0.02 Ca0.02 Ce0.04 Cs0.03 H6.068 La0.04 Mn0.04 Nb0.1 Nd0.04 O8.92 Pb0.02 Si0.04 Sn0.1 Sr0.54 Ta1.75 Ti0.01 U0.2 | F d -3 m :2 | 10.454; 10.454; 10.454 90; 90; 90 | 1142.48 | Andrade, M. B.; Atencio, D.; Chukanov, N. V.; Ellena, J. Hydrokenomicrolite, ([_],H2O)2Ta2(O,OH)6(H2O), a new microlite-group mineral from Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil American Mineralogist, 2013, 98, 292-296 |
| 9014794 | CIF | La0.52 Na0.48 Nb2 O6 | P m m m | 3.921; 3.923; 7.8651 90; 90; 90 | 120.982 | 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 = .16 Inorganic Materials, 2004, 40, 1324-1330 |
| 9014795 | CIF | Al7.335 B3 Ca0.688 F0.729 Fe0.03 H3.27 Li1.596 Mn0.033 Na0.239 O30.27 Pb0.009 Si6 Ti0.003 | R 3 m :H | 15.8293; 15.8293; 7.1003 90; 90; 120 | 1540.74 | 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: L18, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014797 | CIF | Co4 In0.2 Sb12 | I m -3 | 9.05294; 9.05294; 9.05294 90; 90; 90 | 741.94 | He, T.; Chen, J.; Rosenfeld, H. D.; Subramanian, M. A. Thermoelectric properties of indium-filled skutterudites Chemistry of Materials, 2006, 18, 759-762 |
| 9014798 | CIF | Al0.04 Ca9 F0.84 H0.16 Mg0.96 O27.16 P6.97 | R 3 c :H | 10.3394; 10.3394; 37.0836 90; 90; 120 | 3433.23 | Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H. Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R070654 The Canadian Mineralogist, 2011, 49, 1065-1078 |
| 9014799 | CIF | Ni3 Sn | P m -3 m | 3.7349; 3.7349; 3.7349 90; 90; 90 | 52.1 | Rowe, R.; Grice, J. D.; Poirier, G.; Stanley, C. J.; Horvath, L. Nisnite, Ni3Sn, a new nickel mineral species from the Jeffrey mine, Asbestos, Quebec The Canadian Mineralogist, 2011, 49, 651-656 |
| 9014800 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.386; 12.386; 4.954 90; 90; 120 | 658.186 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 3.59 GPa American Mineralogist, 2012, 97, 872-882 |
| 9014801 | CIF | Ca1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8 | C 1 2/m 1 | 9.737; 17.873; 5.264 90; 105.76; 90 | 881.653 | 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 = 3.65 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9014802 | CIF | Al0.64 Cu3 Fe0.36 K3 O18 S4 | I 1 2 1 | 18.772; 4.967; 18.468 90; 101.66; 90 | 1686.43 | Krivovichev, S. V.; Filatov, S. K.; Cherepansky, P. N. The crystal structure of alumoklyuchevskite, K3Cu3AlO2(SO4)4 Kamchatka Peninsula, Russia, 1975-1976 Geology of Ore Deposits, 2009, 51, 656-662 |
| 9014803 | CIF | Be H2 O2 | P 21 21 21 | 4.5328; 4.6252; 7.0379 90; 90; 90 | 147.55 | 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: combined X-ray and Neutron diffraction Zeitschrift fur Anorganische und Allgemeine Chemie, 1998, 624, 1130-1136 |
| 9014807 | CIF | Al3.804 Ca1.359 H15.36 O31.68 Si8.304 Sr0.291 | R -3 m :R | 9.421; 9.421; 9.421 94.2; 94.2; 94.2 | 829.077 | Calligaris, M.; Nardin, G.; Randaccio, L. Cation-site location in a natural chabazite Acta Crystallographica, Section B, 1982, 38, 602-605 |
| 9014808 | CIF | Al5.805 B3 Ca0.09 F0.35 Fe0.48 H3.65 K0.01 Mg2.643 Mn0.06 Na0.84 Ni0.021 O30.65 Si5.982 Ti0.021 Zn0.009 | R 3 m :H | 15.945; 15.945; 7.21 90; 90; 120 | 1587.5 | Ertl, A.; Marschall, H.; Geister, G.; Henry, D.; Schertl, H. P.; Ntaflos, T.; Luvizotto, G.; Nasdala, L.; Tillmanns, E. Metamorphic ultrahigh-pressure tourmaline: structure, chemistry, and correlations to P-T conditions American Mineralogist, 2010, 95, 1-10 |
| 9014809 | CIF | Be O | P 63 m c | 2.714; 2.714; 4.405 90; 90; 120 | 28.099 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 1073 K Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9014810 | CIF | Cr2 O3 | R -3 c :H | 4.8949; 4.8949; 13.432 90; 90; 120 | 278.714 | 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 = 8.1 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9014816 | CIF | Al2 Co0.75 O4 Zn0.25 | F d -3 m :2 | 8.10011; 8.10011; 8.10011 90; 90; 90 | 531.463 | Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.049, Co content = 0.75 apfu American Mineralogist, 2012, 97, 1394-1401 |
| 9014818 | CIF | H8 O12 P2 Zn3 | P b n m | 5.0135; 10.6044; 18.2828 90; 90; 90 | 972.008 | Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wenger, G. The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Note: alpha-hopeite Chemistry - A European Journal, 2004, 10, 2795-2803 |
| 9014819 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.62; 12.62; 5.083 90; 90; 120 | 701.083 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 0.0001 GPa (P-DAC) American Mineralogist, 2012, 97, 872-882 |
| 9014820 | CIF | Fe1.1 Mg0.75 Mn0.15 O4 Si | P b n m | 4.822; 10.46; 6.101 90; 90; 90 | 307.723 | Hazen, R. M. Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 600 deg C, P = 1 atm American Mineralogist, 1977, 62, 286-295 |
| 9014821 | CIF | Al1.61 Fe0.389 Mg1.001 O4 | F d -3 m :2 | 8.1479; 8.1479; 8.1479 90; 90; 90 | 540.925 | 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 = 120 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014822 | CIF | Ag Pb S6 Sb3 | P 1 21/c 1 | 19.1686; 17.16; 13.042 90; 90.008; 90 | 4289.95 | Nespolo, M.; Ozawa, T.; Kawasaki, Y.; Sugiyama, K. Structural relations and pseudosymmetries in the andorite homologous series Journal of Mineralogical and Petrological Sciences, 2012, 107, 226-243 |
| 9014823 | CIF | C H2 Cu1.2 O5 Zn0.8 | P 1 21/a 1 | 12.8976; 9.3705; 3.1623 90; 110.262; 90 | 358.536 | Perchiazzi, N. Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite Zeitschrift fur Kristallographie Supplement, 2006, 23, 505-510 |
| 9014824 | CIF | Cr2 O3 | R -3 c :H | 4.69; 4.69; 12.972 90; 90; 120 | 247.106 | 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 = 50.2 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9014825 | CIF | C H O4 Y | P 21 21 21 | 6.9591; 4.8141; 8.4722 90; 90; 90 | 283.834 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9014826 | CIF | Al2 Co O4 | F d -3 m :2 | 8.10559; 8.10559; 8.10559 90; 90; 90 | 532.542 | Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.072, Co content = 1.00 apfu American Mineralogist, 2012, 97, 1394-1401 |
| 9014827 | CIF | Ca1.78 Fe1.72 H2 K0.1 Mg3.5 Na1.06 O24 Si8 | C 1 2/m 1 | 9.806; 17.999; 5.296 90; 105.43; 90 | 901.043 | 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: FR12 P = 0.26 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9014828 | CIF | Fe2.16 Mg0.31 O4 Si0.53 | I m m a | 5.8319; 11.8873; 8.3522 90; 90; 90 | 579.021 | Woodland, A. B.; Angel, R. J.; Koch, M. Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 8f5v0128, Spinelloid-III European Journal of Mineralogy, 2012, 24, 657-668 |
| 9014829 | CIF | Bi3.92 Cu4 S9 | P b n m | 31.68; 11.659; 3.972 90; 90; 90 | 1467.09 | Bente, K.; Kupcik, V. Redetermination and refinement of the structure of tetrabismuth tetracopper enneasulphide Cu4Bi4S9 Acta Crystallographica, Section C, 1984, 40, 1985-1986 |
| 9014830 | CIF | Al K0.985 O4 Si | P 3 1 c | 5.1665; 5.1665; 8.7248 90; 90; 120 | 201.687 | 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 = 298 K American Mineralogist, 2010, 95, 1027-1034 |
| 9014831 | CIF | Al1.611 Fe0.39 Mg O4 | F d -3 m :2 | 8.1472; 8.1472; 8.1472 90; 90; 90 | 540.786 | 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 = 52,620 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014832 | CIF | O4 Si Zn2 | R -3 :H | 13.971; 13.971; 9.334 90; 90; 120 | 1577.81 | Simonov, M. A.; Sandomirskii, P. A.; Egorov-Tismenko Y K; Belov, N. V. The crystal structure of willemite Zn2[SiO4] Doklady Akademii Nauk SSSR, 1977, 237, 581-584 |
| 9014833 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9638; 7.9698; 5.7545 90; 90; 90 | 227.651 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 359 K American Mineralogist, 2012, 97, 707-712 |
| 9014836 | CIF | Al6 As0.078 Bi0.276 Ca8.935 Cl0.4 Mn4.579 O38.63 Si9 | P 4/n n c :2 | 15.5948; 15.5948; 11.7794 90; 90; 90 | 2864.72 | Groat, L. A.; Evans, R. J. Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden Note: sample vesuvianite 1 American Mineralogist, 2012, 97, 1627-1634 |
| 9014838 | CIF | C Ca O3 | P m c n | 4.9586; 7.9867; 5.7547 90; 90; 90 | 227.903 | 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 = 92 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014839 | CIF | Al2 Ca0.79 H4 O10 Si2 Sr0.21 | P 1 21/m 1 | 5.3032; 13.174; 5.8436 90; 123.76; 90 | 339.416 | 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 #AU63 American Mineralogist, 2010, 95, 724-735 |
| 9014840 | CIF | Ca4 F2 O7 Si2 | P 1 21/c 1 | 7.55; 10.43; 10.85 90; 69.93; 90 | 802.515 | Smirnova, R. F.; Rumanova, I. M.; Belov, N. V. Crystal structure of cuspidine Zapiski Vsesoyuznogo Mineralogicheskogo Obshchestva, 1955, 84, 159-169 |
| 9014841 | CIF | C2.878 H11.38 O5 | F d -3 m :1 | 17.1925; 17.1925; 17.1925 90; 90; 90 | 5081.79 | Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R. Gas hydrate single-crystal structure analyses Sample: (C3H8)8(CH4)14.9(H2O)136, T = 163 K Journal of the American Chemical Society, 2004, 126, 9407-9412 |
| 9014842 | CIF | Ag0.308 Bi4 Cu0.358 Pb3.643 S10 | P n m a | 23.846; 4.0559; 19.066 90; 90; 90 | 1844.01 | Topa, D.; Makovicky, E. The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 5 The Canadian Mineralogist, 2010, 48, 1081-1107 |
| 9014844 | CIF | C D K O3 | P 1 21/a 1 | 15.17; 5.6183; 3.6885 90; 104.297; 90 | 304.633 | Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 219 K Acta Crystallographica, Section B, 1974, 30, 1155-1166 |
| 9014846 | CIF | Mg1.84 O4 Si0.95 | F d -3 m :2 | 8.1164; 8.1164; 8.1164 90; 90; 90 | 534.676 | 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 = 635 K American Mineralogist, 2012, 97, 573-582 |
| 9014847 | CIF | Cs2 H9.5 O37.75 Se4 U7 | P 1 21/m 1 | 9.1381; 15.0098; 15.1732 90; 91.171; 90 | 2080.74 | 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 4 The Canadian Mineralogist, 2012, 50, 147-157 |
| 9014848 | CIF | As Ca Cu0.96 H Mg0.04 O5 | P 21 21 21 | 7.3849; 5.8379; 9.1937 90; 90; 90 | 396.362 | Sakai, S.; Yoshiasa, A.; Sugiyama, K.; Miyawaki, R. Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH) Journal of Mineralogical and Petrological Sciences, 2009, 104, 125-131 |
| 9014850 | CIF | Cr2 O3 | R -3 c :H | 4.9371; 4.9371; 13.53 90; 90; 120 | 285.609 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 18.6 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9014851 | CIF | Fe | F m -3 m | 3.473; 3.473; 3.473 90; 90; 90 | 41.89 | 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 = 26.55 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014853 | CIF | Al2 Ca0.68 H4 O10 Si2 Sr0.32 | P 1 21/m 1 | 5.33; 13.1956; 5.8449 90; 123.96; 90 | 340.967 | 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 #AU62 American Mineralogist, 2010, 95, 724-735 |
| 9014854 | CIF | Al0.66 Ca1.96 Fe0.12 Mg0.24 Na0.04 O7 Si1.3 | P -4 21 m | 7.738; 7.738; 5.045 90; 90; 90 | 302.078 | Mokeeva, V.; Makarov, E. Isomorph in melilites: refining of crystal structure of akermanite and intermediate melilite Geokhimiya, 1979, 10, 1541-1544 |
| 9014856 | CIF | Ca4.25 F Fe0.18 Na1.57 Nb0.57 O17 Si4 Zr1.43 | P 1 21 1 | 10.836; 10.27; 7.296 90; 109.13; 90 | 767.103 | Bellezza, M.; Merlino, S.; Perchiazzi, N. Distinct domains in "guarinite" from Monte Somma, Italy: Crystal structures and crystal chemistry Note: "Guarinite" Domain II The Canadian Mineralogist, 2012, 50, 531-548 |
| 9014857 | CIF | H6 Mg O6 Si | P 21 21 21 | 4.976; 5.023; 7.115 90; 89.89; 90 | 177.835 | Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S. The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, LDA from P2_12_12_1 American Mineralogist, 2012, 97, 1043-1048 |
| 9014858 | CIF | Be O | P 63 m c | 2.6983; 2.6983; 4.3776 90; 90; 120 | 27.602 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 2 in air Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9014859 | CIF | Fe0.85 Mg0.49 Mn1.66 O8 P2 | P 1 21/c 1 | 6.088; 4.814; 10.484 90; 89.42; 90 | 307.245 | Hatert, F.; Roda-Robles E; de Parseval, P.; Wouters, J. Zavaliaite, (Mn2+,Fe2+,Mg)3(PO4)2, a new member of the sarcopside group from La Empleada pegmatite, San Luis Province, Argentina The Canadian Mineralogist, 2012, 50, 1445-1452 |
| 9014860 | CIF | Mg O3 Si | P b c a | 18.158; 8.78; 5.1574 90; 90; 90 | 822.23 | 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 = 1.23(4) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9014863 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.473; 11.473; 11.473 90; 90; 90 | 1510.19 | 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 = 472.6 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014864 | CIF | Al7.209 B3 Ca0.583 F0.648 Fe0.015 H3.351 Li1.491 Mg0.06 Mn0.033 Na0.345 O30.351 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, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014869 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7506; 4.7506; 9.2811 90; 90; 90 | 209.458 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q5, treated at 600 C for 650 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9014870 | CIF | Fe S4 Sb2 | P n a m | 11.1825; 13.753; 3.7359 90; 90; 90 | 574.555 | 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 = 2.63 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
| 9014871 | CIF | B7 Cl Mg3 O13 | P c a 21 | 8.54; 8.54; 12.07 90; 90; 90 | 880.284 | Ito, T.; Morimoto, N.; Sadanaga, R. The crystal structure of boracite Acta Crystallographica, 1951, 4, 310-316 |
| 9014872 | CIF | H K0.27 Mn2 O9.47 Si3.36 | A 1 2/a 1 | 5.533; 13.565; 25.09 90; 94; 90 | 1878.55 | Eggleton, R. A.; Guggenheim, S. A re-examination of the structure of ganophyllite Mineralogical Magazine, 1986, 50, 307-315 |
| 9014875 | CIF | Al7.194 B3 Ca0.563 F0.694 Fe0.015 H3.306 Li1.461 Mn0.33 Na0.354 O30.306 Pb0.026 Si6 | R 3 m :H | 15.8529; 15.8529; 7.1101 90; 90; 120 | 1547.47 | 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: L2, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014877 | CIF | C Ca O3 | R -3 c :H | 4.974; 4.974; 17.243 90; 90; 120 | 369.449 | 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 = 359 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014880 | CIF | Fe2 O3 | R -3 c :H | 5.0143; 5.0143; 13.6733 90; 90; 120 | 297.731 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 31.4 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9014881 | CIF | Fe Nb0.2 O6 Ta1.8 | P 42/m n m | 4.7515; 4.7515; 9.254 90; 90; 90 | 208.925 | von Heidenstam, O. Neutron and X-ray diffraction studies on tapiolite and some synthetic substances of trirutile structure Note: Crystal A Note: Curran spectrometer Arkiv for Kemi, 1968, 28, 375-387 |
| 9014882 | CIF | Bi4 Cu0.26 Pb3.867 S10 | P n m a | 23.894; 4.0616; 19.143 90; 90; 90 | 1857.79 | Topa, D.; Makovicky, E. The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 2 The Canadian Mineralogist, 2010, 48, 1081-1107 |
| 9014883 | CIF | Al8.61 B3.546 H3 Li0.39 Na0.68 O31 Si5.454 | R 3 m :H | 15.765; 15.765; 7.083 90; 90; 120 | 1524.53 | Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R. Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-13 American Mineralogist, 2012, 97, 1591-1597 |
| 9014884 | CIF | Ca4 Na4 O18 Si6 | R -3 m :H | 10.429; 10.429; 13.149 90; 90; 120 | 1238.54 | Fischer, R. X.; Tillmanns, E. Die Kristallstrukturen von naturlichem Na2Ca2Si3O9 vom Mt.Shaheru (Zaire) und aus dem Mayener Feld (Eifel) Note: this is the high-temperature form of combeite Neues Jahrbuch fur Mineralogie, Monatshefte, 1983, 1983, 49-59 |
| 9014885 | CIF | Al0.76 Cr0.24 Nb O4 | C 1 2/m 1 | 12.1886; 3.7748; 6.5033 90; 107.72; 90 | 285.018 | Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N37 American Mineralogist, 2012, 97, 910-917 |
| 9014886 | CIF | Fe O7 Ti3 | I m m 2 | 9.9522; 2.7397; 5.9953 90; 90; 90 | 163.468 | Nishio-Hamane D; Zhang, M.; Yagi, T.; Ma, Y. High-pressure and high-temperature phase transitions in FeTiO3 and a new dense FeTi3O7 structure Note: P = 61 GPa, T = 300 K American Mineralogist, 2012, 97, 568-572 |
| 9014887 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9692; 7.9873; 5.7796 90; 90; 90 | 229.395 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 471 K American Mineralogist, 2012, 97, 707-712 |
| 9014888 | CIF | Al1.99 Ca2 Cr0.46 Fe0.08 Mg0.45 Mn0.02 O14 Si3 | C 1 2/m 1 | 19.1558; 5.9125; 8.844 90; 97.448; 90 | 993.209 | Hamada, M.; Akasaka, M.; Seto, S.; Makino, K. Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1013 American Mineralogist, 2010, 95, 1294-1304 |
| 9014889 | CIF | Ba0.985 Ca0.002 Mg0.002 O4 S Sr0.007 | P b n m | 7.15505; 8.88101; 5.45447 90; 90; 90 | 346.599 | 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 |
| 9014890 | CIF | Ca1.78 Fe1.72 H2 Mg3.5 Na1.06 O24 Si8 | C 1 2/m 1 | 9.66; 17.781; 5.233 90; 106.03; 90 | 863.894 | 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: FR12 P = 4.84 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9014891 | CIF | C Ca O3 | R -3 c :H | 4.978; 4.978; 17.211 90; 90; 120 | 369.357 | 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 |
| 9014892 | CIF | Ba Cu2 O7 Si2 | P n m a | 6.86058; 13.17507; 6.89589 90; 90; 90 | 623.31 | Yamada, T.; Hiroi, Z.; Takano, M. Spin-1/2 quantum antiferromagnetic chains with tunable superexchange interactions found in BaCu2(Si1-xGex)2O7 Journal of Solid State Chemistry, 2001, 156, 101-109 |
| 9014893 | CIF | O3 V2 | R -3 c :H | 4.9018; 4.9018; 13.969 90; 90; 120 | 290.675 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 47 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9014894 | CIF | Ba O7 Si2 Zn2 | C c m 21 | 7.6199; 13.0265; 6.7374 90; 90; 90 | 668.759 | Lin, J. H.; Lu, G. X.; Du, J.; Su, M. Z.; Loong, C. K.; Richardson, J. W. Phase transition and crystal structure of BaZn2Si2O7 Note: T = 350 C Journal of Physics and Chemistry of Solids, 1999, 60, 975-983 |
| 9014896 | CIF | Al1.61 Fe0.389 Mg1.001 O4 | F d -3 m :2 | 8.1465; 8.1465; 8.1465 90; 90; 90 | 540.646 | 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 = 9 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014898 | CIF | O3 V2 | R -3 c :H | 4.9199; 4.9199; 13.9787 90; 90; 120 | 293.029 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 28.3 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9014899 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.266; 12.266; 4.864 90; 90; 120 | 633.768 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 6.16 GPa American Mineralogist, 2012, 97, 872-882 |
| 9014901 | CIF | C2 H30 Mg O18 S2 | R -3 :H | 9.2715; 9.2715; 21.1298 90; 90; 120 | 1572.99 | Genceli Guner, F. E.; Lutz, M.; Sakurai, T.; Spek, A. L.; Hondoh, T. Crystallization and characterization of magnesium methanesulfonate hydrate Mg(CH3SO3)2*12H2O Note: T = 110 K Crystal Growth & Design, 2010, 10, 4327-4333 |
| 9014902 | CIF | F H O Zn | P n m a | 10.228; 3.1125; 4.7165 90; 90; 90 | 150.148 | Crichton, W. A.; Parise, J. B.; Muller, H.; Breger, J.; Marshall, W. G.; Welch, M. D. Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures Note: transformed from Serier et al (2007) Mineralogical Magazine, 2012, 76, 25-36 |
| 9014903 | CIF | Al1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3 | I a -3 d | 11.6044; 11.6044; 11.6044 90; 90; 90 | 1562.67 | 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: Parameters transformed to room conditions from pressure effect of diamond European Journal of Mineralogy, 2012, 24, 599-606 |
| 9014904 | CIF | C0.771 H1.998 Al2.91 Ca0.6 Na3.255 O15.312 Si3.09 | P 63 | 12.617; 12.617; 5.129 90; 90; 120 | 707.091 | 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# mmf28962 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9014905 | CIF | Cl F6 Pb3.5 | P -6 | 10.267; 10.267; 3.9844 90; 90; 120 | 363.731 | Merlino, S.; Pasero, M.; Perchiazzi, N.; Kampf, A. R. Laurelite: Its crystal structure and relationship to alpha-PbF2 American Mineralogist, 1996, 81, 1277-1281 |
| 9014906 | CIF | Ca0.51 Fe0.33 Mg0.35 Mn3.81 O15 Si5 | P -1 | 6.6818; 7.633; 11.795 105.49; 92.49; 94.01 | 577.092 | Leverett, P.; Williams, P. A.; Hibbs, D. E. Ca-Mg-Fe-rich rhodonite from the Morro da Mina mine, Conselheiro Lafaiete, Minas Gerais, Brazil The Mineralogical Record, 2008, 39, 125-130 |
| 9014907 | CIF | C2 H5 N O | R 3 c :H | 11.513; 11.513; 12.883 90; 90; 120 | 1478.85 | Jeffrey, G. A.; Ruble, J. R.; McMullan, R. K.; DeFrees, D. J.; Binkley, J. S.; Pople, J. A. Neutron diffraction at 23 K and ab initio molecular-orbital studies of molecular structure of acetamide Note: T = 23 K Acta Crystallographica, Section B, 1980, 36, 2292-2299 |
| 9014909 | CIF | C1.72 H18 O10 | F d -3 m :1 | 17.175; 17.175; 17.175 90; 90; 90 | 5066.29 | Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R. Gas hydrate single-crystal structure analyses Sample: (C3H8)8(H2O)136, T = 123 K Journal of the American Chemical Society, 2004, 126, 9407-9412 |
| 9014910 | CIF | Cu2 O7 V2 | P 1 | 7.687; 5.54982; 10.09 104; 110.45; 46.17 | 290.958 | Yashima, M.; Suzuki, R. O. Electronic structure and magnetic properties of monoclinic beta-Cu2V2O7: A GGA+U study Note: this is a modification of the monoclinic structure from the Calvo & Faggiani (1975) paper, in the triclinic setting Physical Review B, 2009, 79, 125201-125206 |
| 9014911 | CIF | Ca0.055 Fe0.08 Mg0.055 Mn0.215 Na4.75 Nb0.255 O13 P Si2 Ta0.005 Ti1.415 Zr0.055 | P -1 | 5.417; 7.119; 14.487 99.957; 96.711; 90.36 | 546.286 | Camara, F.; Sokolova, E.; Hawthorne, F. C.; Abdu, Y. From structure topology to chemical composition. IX. Titanium silicates: revision of the crystal chemistry of lomonosovite and murmanite, Group-IV minerals Mineralogical Magazine, 2008, 72, 1207-1228 |
| 9014913 | CIF | B La O5 Si | P 31 | 6.874; 6.874; 6.717 90; 90; 120 | 274.869 | Chi, L.; Chen, H.; Zhuang, H.; Huang, J. Crystal structure of LaBSiO5 Journal of Alloys and Compounds, 1997, 252, L12-L15 |
| 9014914 | CIF | As0.06 H4 Mn5 O12 P1.76 Si0.18 | P 21 21 21 | 17.9733; 5.6916; 9.13 90; 90; 90 | 933.97 | Elliott, P.; Pring, A. The crystal structure of gatehouseite Mineralogical Magazine, 2011, 75, 2823-2832 |
| 9014915 | CIF | Al90 Ca36 Cl3 H12 K9 Na21 O470 S26 Si90 | P 3 | 12.913; 12.913; 79.605 90; 90; 120 | 11495.4 | Rastsvetaeva, R. K.; Chukanov, N. V. Model of the crystal structure of biachellaite as a new 30-layer member of the cancrinite group Crystallography Reports, 2008, 53, 981-988 |
| 9014916 | CIF | Al7.407 B3 Ca0.032 F0.48 Fe0.018 H3.33 K0.004 Li0.483 Mn1.143 Na0.773 O30.52 Si5.826 Ti0.006 | R 3 m :H | 15.941; 15.941; 7.136 90; 90; 120 | 1570.42 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Rossman, G. R.; London, D.; Fritz, E. A. Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and relations to synthetic solid solutions Note: This sample may be named wrong Sample P6 American Mineralogist, 2003, 88, 1369-1376 |
| 9014918 | CIF | Ca6 Cl0.286 H1.72 O12.714 Si3 | P -1 | 6.8126; 6.9416; 12.9412 90.582; 97.552; 98.251 | 600.143 | Armbruster, T.; Lazic, B.; Gfeller, F.; Galuskin, E. V.; Galuskina, I. O.; Savelyeva, V. B.; Zadov, A. E.; Pertsev, N. N.; Dzierzanowski, P. Chlorine content and crystal chemistry of dellaite from the Birkhin gabbro massif, Eastern Siberia, Russia Note: Cl-containing dellaite Mineralogical Magazine, 2011, 75, 379-394 |
| 9014919 | CIF | H12 Mg3.84 O22 Si6 | P n c n | 13.4074; 27.0244; 5.2767 90; 90; 90 | 1911.89 | Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G Variability in sepiolite: Diffraction studies Note: Sample NOR25 Note: T = 25 C American Mineralogist, 2011, 96, 1443-1454 |
| 9014921 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.785; 9.1324; 5.1924 90; 101.751; 90 | 454.271 | Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 4 K American Mineralogist, 2012, 97, 694-706 |
| 9014923 | CIF | Al1.463 Fe0.538 Mg1.003 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 750 C Annealing time = 120 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014924 | CIF | Ba0.105 Cu O10 Si4 Sr0.895 | P 4/n c c :2 | 7.36858; 7.36858; 15.6346 90; 90; 90 | 848.896 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .105 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9014925 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.6094; 6.6094; 9.7239 90; 90; 120 | 367.871 | 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 = 1.12 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9014926 | CIF | Ag As Mn S3 | P 43 2 2 | 5.4496; 5.4496; 32.949 90; 90; 90 | 978.524 | Bonazzi, P.; Keutsch, F. N.; Bindi, L. Manganoquadratite, AgMnAsS3, a new manganese-bearing sulfosalt from the Uchucchacua polymetallic deposit, Lima Department, Peru: Description and crystal structure American Mineralogist, 2012, 97, 1199-1205 |
| 9014927 | CIF | Al6 B3 Ca0.05 F0.038 Fe0.231 H3.42 K0.01 Mg2.769 Na0.711 O30.962 Si6 | R 3 m :H | 15.921; 15.921; 7.175 90; 90; 120 | 1575.05 | Bacik, P.; Uher, P.; Ertl, A.; Jonsson, E.; Nysten, P.; Kanicky, V.; Vaculovic, T. Zoned REE-enriched dravite from a granitic pegmatite in Forshammar Bergslagen Province, Sweden: An EMPA, XRD and LA-ICP-MS study Sample: TSW an3 (rim) The Canadian Mineralogist, 2012, 50, 825-841 |
| 9014928 | CIF | As3 Ca4 H9 O16 | P 1 21/c 1 | 5.822; 10.175; 22.8816 90; 96.902; 90 | 1345.66 | Yang, H.; Evans, S. H.; Downs, R. T.; Jenkins, R. A. The crystal structure of vladimirite, with a revised chemical formula, Ca4(AsO4)2(AsO3OH)*4H2O Note: Sample R080001 The Canadian Mineralogist, 2011, 49, 1055-1064 |
| 9014929 | CIF | Ca O14.249 Si4 V | P n m a | 9.609; 13.6833; 9.7559 90; 90; 90 | 1282.73 | Danisi, R. M.; Armbruster, T.; Lazic, B. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 75 C American Mineralogist, 2012, 97, 1874-1880 |
| 9014930 | CIF | Bi0.15 Ca0.65 F Na1.11 O6 Ta2 | F d -3 m :2 | 10.4451; 10.4451; 10.4451 90; 90; 90 | 1139.56 | Witzke, T.; Steins, M.; Doering, T.; Schuckmann, W.; Wegner, R.; Pollmann, H. Fluornatromicrolite, (Na,Ca,Bi)2Ta2O6F, a new mineral species from Quixaba, Paraiba, Brazil The Canadian Mineralogist, 2011, 49, 1105-1110 |
| 9014931 | CIF | Ba Cu O10 Si4 | P 4/n c c :2 | 7.442; 7.442; 16.133 90; 90; 90 | 893.5 | Giester, G.; Rieck, B. Effenbergerite, BaCu[Si4O10], a new mineral from the Kalahari Manganese Field, South Africa: description and crystal structure Mineralogical Magazine, 1994, 58, 663-670 |
| 9014933 | CIF | Fe O4 Sb2 | P 42/m | 7.8498; 7.8498; 5.7452 90; 90; 90 | 354.016 | Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M. Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 10.5 GPa, this is denoted as Phase III Journal of Physics: Condensed Matter, 2006, 18, S1021-S1037 |
| 9014934 | CIF | Cu O | C 1 2/c 1 | 4.6732; 3.477; 5.119 90; 98.5625; 90 | 82.25 | 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 = 34 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9014935 | CIF | C Ca O3 | P m c n | 4.9713; 8.0311; 5.8141 90; 90; 90 | 232.128 | 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 = 359 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014938 | CIF | Ca0.002 Fe0.01 Mn0.993 S | F -4 3 m | 5.601; 5.601; 5.601 90; 90; 90 | 175.71 | Ma, C.; Beckett, J. R.; Rossman, G. R. Browneite, MnS, a new sphalerite-group mineral from the Zaklodzie meteorite American Mineralogist, 2012, 97, 2056-2059 |
| 9014939 | CIF | Al Ca0.984 Fe10.54 K0.902 Mg2.46 Na4.858 O50 P12 | C 1 c 1 | 16.549; 10.053; 24.618 90; 106.55; 90 | 3925.95 | Steele, I. M. Arrojadite: variations in space group and composition based on four new refinements Sample: red06ye General Meeting of the International Mineralogical Association, 2002, 18, MO2-117 |
| 9014940 | CIF | Mn O4 V2 | F d -3 m :1 | 8.52; 8.52; 8.52 90; 90; 90 | 618.47 | Plumier, R. Magnetisme - Etude par diffraction des neutrons du compose spinelle MnV2O4 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1962, 255, 2244-2246 |
| 9014941 | CIF | Al6.741 B3 Ca0.02 F0.1 Fe1.23 H3.09 K0.02 Mg0.978 Na0.86 O30.9 Si5.94 Ti0.111 Zn0.009 | R 3 m :H | 15.929; 15.929; 7.183 90; 90; 120 | 1578.39 | Ertl, A.; Marschall, H.; Geister, G.; Henry, D.; Schertl, H. P.; Ntaflos, T.; Luvizotto, G.; Nasdala, L.; Tillmanns, E. Metamorphic ultrahigh-pressure tourmaline: structure, chemistry, and correlations to P-T conditions American Mineralogist, 2010, 95, 1-10 |
| 9014942 | CIF | Ni P | P b c a | 6.036; 4.8684; 6.8788 90; 90; 90 | 202.138 | Dera, P.; Lazarz, J. D.; Lavina, B. Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 1.29 GPa Journal of Solid State Chemistry, 2011, 184, 1997-2003 |
| 9014943 | CIF | C Ca O3 | P m c n | 4.9614; 7.9954; 5.7668 90; 90; 90 | 228.76 | 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 = 154 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014944 | CIF | C Fe O3 | R -3 c :H | 4.514; 4.514; 13.34 90; 90; 120 | 235.402 | 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 P14, P = 41.2 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9014945 | CIF | Fe S0.5 Se0.5 | P 63 m c | 3.521; 3.521; 5.901 90; 90; 120 | 63.356 | Franz, E. D. Rontgenographische Daten der Mischphasen im System Pyrit (FeS2) - Ferroselit (FeSe2)/Pyrrhotin (FeS) - Achavalit (FeSe) Neues Jahrbuch fur Mineralogie, Monatshefte, 1972, 1972, 276-280 |
| 9014946 | CIF | Ca0.44 H22 Na1.56 O25 V5 | C 1 2/m 1 | 19.848; 10.1889; 13.1184 90; 130.187; 90 | 2026.68 | Kampf, A. R.; Hughes, J. M.; Marty, J.; Nash, B. Gunterite, Na4(H2O)16(H2V10O28)*6H2O, a new mineral species with a doubly-protonated decavanadate polyanion: crystal structure and descriptive mineralogy The Canadian Mineralogist, 2011, 49, 1243-1251 |
| 9014952 | CIF | Cl2 Fe | R -3 m :H | 3.592; 3.592; 17.384 90; 90; 120 | 194.246 | Vettier, C.; Yelon, W. B. The structure of FeCl2 at high pressures Note: P = 3.15 kbar Journal of Physics and Chemistry of Solids, 1975, 36, 401-405 |
| 9014953 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.5291; 11.5291; 11.5291 90; 90; 90 | 1532.45 | 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 = 972.9 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014954 | CIF | La0.09 Na1.74 Nb2 O6 | P b c m | 5.51; 5.5563; 15.567 90; 90; 90 | 476.587 | 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 = .58, La.09Na1.74Nb2O6 Inorganic Materials, 2004, 40, 1324-1330 |
| 9014956 | CIF | Ba O9 Si3 Ti | P 3 1 c | 11.3177; 11.3177; 9.6293 90; 90; 120 | 1068.17 | 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 = 5.29 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9014959 | CIF | Al1.611 Fe0.391 Mg O4 | F d -3 m :2 | 8.1473; 8.1473; 8.1473 90; 90; 90 | 540.806 | 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 = Untreated min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014960 | CIF | Al2.9 Fe0.04 H2 K0.86 Mg0.06 Na0.1 O12 Si3 | C 1 2/c 1 | 5.1906; 9.008; 20.047 90; 95.757; 90 | 932.608 | Guven, N. The crystal structures of 2M1 phengite and 2M1 muscovite Note: sample 2M1 muscovite Zeitschrift fur Kristallographie, 1971, 134, 196-212 |
| 9014961 | CIF | As Cl2 H O3 Pb2 | P 1 21/m 1 | 6.4235; 5.5399; 9.321 90; 90.767; 90 | 331.663 | Siidra, O. I.; Chukanov, N. V.; Pekov, I. V.; Krivovichev, S. V.; Magganas, A.; Katerinopoulos, A.; Voudouris, P. Pb2(AsO2OH)Cl2, a new phase from the Lavrion ancient slags, Greece: occurrence and characterization Mineralogical Magazine, 2012, 76, 597-602 |
| 9014962 | CIF | Al0.55 Ca2 Fe1.45 O5 | I 2 m b | 5.383; 14.61; 5.592 90; 90; 90 | 439.786 | 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 = 0.0001 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9014967 | CIF | As Fe2 H19 O18 S | P -1 | 7.549; 10.305; 10.904 115.136; 99.798; 92.864 | 749.581 | Majzlan, J.; Lazic, B.; Armbruster, T.; Johnson, M. B.; White, M. A.; Fisher, R. A.; Plasil, J.; Loun, J.; Skoda, R.; Novak, M. Crystal structure, thermodynamic properties, and paragenesis of bukovskyite, Fe2(AsO4)(SO4)(OH)*9H2O Journal of Mineralogical and Petrological Sciences, 2012, 107, 133-148 |
| 9014968 | CIF | Cu5 H2 O14 Pb2.04 Te2 | P 21 n m | 5.2; 9.6225; 11.534 90; 90; 90 | 577.127 | 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 |
| 9014971 | CIF | B5 Ca2 H7 O13 | P 1 21/c 1 | 11.58; 6.9844; 12.352 90; 110.573; 90 | 935.309 | Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X. Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 173 K The Canadian Mineralogist, 2011, 49, 823-834 |
| 9014973 | CIF | As2.544 Ca2.01 Mg0.446 Mn1.554 Na0.99 O12 V0.456 | I a -3 d | 12.4829; 12.4829; 12.4829 90; 90; 90 | 1945.12 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
| 9014974 | CIF | B11 Ca0.301 H7 O22 Sr1.699 | P 1 21 1 | 6.7127; 20.704; 6.6276 90; 119.209; 90 | 803.98 | Grice, J. D.; Pring, A. Veatchite: structural relationships of the three polytypes Note: high-T polytype veatchite-1M, formally known as veatchite-p American Mineralogist, 2012, 97, 489-495 |
| 9014975 | CIF | Ba0.636 Cu O10 Si4 Sr0.364 | P 4/n c c :2 | 7.403; 7.403; 15.9357 90; 90; 90 | 873.347 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .636 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9014976 | CIF | Ca4.71 F3 Mn0.67 Na1.62 O15 Si4 Ti0.26 Zr0.74 | P -1 | 10.934; 10.991; 7.366 109.43; 109.6; 83.56 | 786.429 | Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N. Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea The Canadian Mineralogist, 2012, 50, 593-609 |
| 9014977 | CIF | Fe0.093 Mg0.908 O3 Si | P 1 21/c 1 | 17.87; 8.526; 4.9485 90; 92.88; 90 | 752.999 | Zhang, J. S.; Dera, P.; Bass, J. D. A new high-pressure phase transition in natural Fe-bearing orthoenstatite Note: P = 14.26 GPa American Mineralogist, 2012, 97, 1070-1074 |
| 9014978 | CIF | Ag4 As5.78 S15 Sb1.22 Tl5 | P -1 | 8.92; 9.429; 20.062 79.66; 88.84; 62.72 | 1471.6 | Bindi, L.; Nestola, F.; Guastoni, A.; Peruzzo, L.; Ecker, M.; Carampin, R. Raberite, Ti5Ag4As6SbS15, a new Ti-bearing sulfosalt from Lengenbach quarry, Binn valley, Switzerland: description and crystal structure Mineralogical Magazine, 2012, 76, 1153-1163 |
| 9014979 | CIF | Al6.03 B3 Ca0.04 F0.61 Fe0.87 H3.39 Li0.12 Mg1.83 Mn0.09 Na0.88 O30.39 Si6 Ti0.03 | R 3 m :H | 15.955; 15.955; 7.153 90; 90; 120 | 1576.93 | Clark, C. M.; Hawthorne, F. C.; Ottolini, L. Fluor-dravite, NaMg3Al6Si6O18(BO3)3(OH)3F, a new mineral species of the tourmaline group from the Crabtree Emerald mine, Mitchell County, North Carolina: Description and crystal structure The Canadian Mineralogist, 2011, 49, 57-62 |
| 9014981 | CIF | Ca4.16 Ce0.3 F2.96 La0.16 Mn0.02 Na2.08 Nb0.29 Nd0.08 O15.04 Pr0.04 Si4 Sr0.02 Ti0.67 Y0.08 Zr0.04 | P 1 21/c 1 | 7.4132; 5.6816; 18.8455 90; 101.37; 90 | 778.173 | Camara, F.; Sokolova, E.; Hawthorne, F. C. From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample H-08-02 Mineralogical Magazine, 2011, 75, 2755-2774 |
| 9014982 | CIF | Al7.287 B3 Ca0.685 F0.684 Fe0.06 H3.315 Li1.617 Mn0.036 Na0.245 O30.315 Pb0.01 Si6 Ti0.003 | R 3 m :H | 15.8307; 15.8307; 7.1013 90; 90; 120 | 1541.23 | 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: L16, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014983 | CIF | Mg O3 Si | P b c a | 17.933; 8.595; 5.0766 90; 90; 90 | 782.477 | 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 = 8.26(6) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9014984 | CIF | Al6.696 B3 F0.03 Fe1.2 H3.91 Li0.009 Mg1.032 Mn0.039 Na0.49 O30.97 Si5.952 Ti0.009 | R 3 m :H | 15.9476; 15.9476; 7.1578 90; 90; 120 | 1576.53 | Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E. Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample TK42 European Journal of Mineralogy, 2012, 24, 695-715 |
| 9014985 | CIF | Mg1.86 O4 Si0.94 | F d -3 m :2 | 8.1031; 8.1031; 8.1031 90; 90; 90 | 532.051 | 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: at room T after heating to T = 685 K American Mineralogist, 2012, 97, 573-582 |
| 9014986 | CIF | H2 O | R -3 c :R | 7.6; 7.6; 7.6 70.1; 70.1; 70.1 | 375.394 | Engelhardt, H.; Kamb, B. Structure of ice IV, a metastable high-pressure phase Note: T = 110 K, synthesized at 4-5.5 kb Journal of Chemical Physics, 1981, 75, 5887-5899 |
| 9014987 | CIF | Mo O3 | P b n m | 3.9624; 13.86; 3.6971 90; 90; 90 | 203.041 | 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: March model Powder Diffraction, 2009, 24, 315-326 |
| 9014989 | CIF | Al1.609 Fe0.389 Mg O4 | F d -3 m :2 | 8.1465; 8.1465; 8.1465 90; 90; 90 | 540.646 | 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 = 21 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014990 | CIF | Al1.463 Fe0.537 Mg1.002 O4 | F d -3 m :2 | 8.1706; 8.1706; 8.1706 90; 90; 90 | 545.459 | 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 750 C Annealing time = 60 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014993 | CIF | C H5 Cl Mg2 O6 | R 3 c :H | 22.6791; 22.6791; 7.22336 90; 90; 120 | 3217.52 | Sugimoto, K.; Dinnebier, R. E.; Schlecht, T. Crystal structure of dehydrated chlorartinite by X-ray powder diffraction Note: this is a dehydrated chlorartinite Powder Diffraction, 2007, 22, 64-67 |
| 9014995 | CIF | Al K0.983 O4 Si | P 3 1 c | 5.156; 5.156; 8.745 90; 90; 120 | 201.334 | 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 = 150 K American Mineralogist, 2010, 95, 1027-1034 |
| 9014998 | CIF | C H2 Cu0.94 Mg1.06 O5 | P 1 21/a 1 | 12.9181; 9.3923; 3.1622 90; 111.233; 90 | 357.626 | Perchiazzi, N. Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite Zeitschrift fur Kristallographie Supplement, 2006, 23, 505-510 |
| 9015000 | CIF | Cr2 O3 | R -3 c :H | 4.957; 4.957; 13.5923 90; 90; 120 | 289.242 | Sawada, H. Residual electron density study of chromium sesquioxide by crystal structure and scattering factor refinement Note: anharmonic/atomic scattering factor refinement Materials Research Bulletin, 1994, 29, 239-245 |
| 9015002 | CIF | P2 Pt | P a -3 | 5.6956; 5.6956; 5.6956 90; 90; 90 | 184.764 | 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 |
| 9015003 | CIF | H8 O11 Sr V3 | P 1 21/m 1 | 5.313; 10.495; 8.568 90; 91.14; 90 | 477.657 | Bindi, L.; Carbone, C.; Cabella, R.; Lucchetti, G. Bassoite, SrV3O7*4H2O, a new mineral from Molinello mine, Val Graveglia, eastern Liguria, Italy Mineralogical Magazine, 2011, 75, 2677-2686 |
| 9015006 | CIF | Al7.188 B3 Ca0.628 F0.702 Fe0.021 H3.298 Li1.584 Mn0.207 Na0.297 O30.298 Pb0.023 Si6 | R 3 m :H | 15.8456; 15.8456; 7.1066 90; 90; 120 | 1545.29 | 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: L5, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015007 | CIF | Fe Nb0.2 O6 Ta1.8 | P 42/m n m | 4.7515; 4.7515; 9.254 90; 90; 90 | 208.925 | von Heidenstam, O. Neutron and X-ray diffraction studies on tapiolite and some synthetic substances of trirutile structure Note: Crystal A Note: Stalex diffractometer Arkiv for Kemi, 1968, 28, 375-387 |
| 9015008 | CIF | B4 La4 O15 Si3 | P 31 2 1 | 6.827; 6.827; 6.779 90; 90; 120 | 273.625 | Belokoneva, E. L.; Shuvaeva, V. A.; Antipin M Yu; Leonyuk, N. I. Crystal structure of a high-temperature modification of LaBSiO5, a synthetic analog of stillwellite Note: T = 473 K Zhurnal Neorganicheskoi Khimii, 1996, 41, 1097-1101 |
| 9015009 | CIF | Ag3 S3 Sb | R 3 c :H | 11.0464; 11.0464; 8.7211 90; 90; 120 | 921.602 | Laufek, F.; Sejkora, J.; Dusek, M. The role of silver in the crystal structure of pyrargyrite: single crystal X-ray diffraction study Journal of Geosciences, 2010, 55, 161-167 |
| 9015010 | CIF | Cl3 Fe0.52 Na21.48 O40 S10 | I -4 3 d | 15.882; 15.882; 15.882 90; 90; 90 | 4006.04 | Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M.; Russo, M. D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3, two new minerals from volcanic fumaroles Mineralogical Magazine, 2012, 76, 2773-2783 |
| 9015011 | CIF | B Ca H O3 | P 1 21/a 1 | 8.643; 9.523; 3.567 90; 119.23; 90 | 256.206 | Miura, H.; Kusachi, I. Crystal structure of sibirskite (CaHBO3) by Monte Carlo simulation and Rietveld refinement Journal of Mineralogical and Petrological Sciences, 2008, 103, 156-160 |
| 9015014 | CIF | Bi2 Pb3 S6 | P b n m | 10.891; 22.638; 3.9926 90; 90; 90 | 984.377 | 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 = 7.92 GPa Note: occupancies not refined Note: phase known as beta-Pb3Bi2S6 Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9015015 | CIF | H6 Na2 O18 Si6 Zr | P b c m | 7.1312; 14.6853; 14.6349 90; 90; 90 | 1532.62 | Grigor'eva, A. A.; Zubkova, N. V.; Pekov, I. V.; Kolitsch, U.; Pushcharovsky, D. Y.; Vigasina, M. F.; Giester, G.; Dordevic, T.; Tillmanns, E.; Chukanov, N. V. Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) and its K- and Rb-exchanged forms Crystallography Reports, 2011, 56, 832-841 |
| 9015019 | CIF | Fe | F m -3 m | 3.49; 3.49; 3.49 90; 90; 90 | 42.509 | 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 = 23.17 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015020 | CIF | Al1.46 Fe0.538 Mg O4 | F d -3 m :2 | 8.1701; 8.1701; 8.1701 90; 90; 90 | 545.359 | 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 750 C Annealing time = 3 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015023 | CIF | Mg1.92 O4 Si0.98 | F d -3 m :2 | 8.0976; 8.0976; 8.0976 90; 90; 90 | 530.969 | 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 = 489 K American Mineralogist, 2012, 97, 573-582 |
| 9015024 | CIF | Mg0.125 O1.872 Zr0.875 | 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 3, O displaced along [111] Acta Crystallographica, Section B, 1988, 44, 116-120 |
| 9015025 | CIF | Al Ca0.66 F5 | C 1 2/c 1 | 8.601; 6.2903; 7.219 90; 114.61; 90 | 355.091 | Balic-Zunic T; Garavelli, A.; Mitolo, D.; Acquafredda, P.; Leonardsen, E. Jakobssonite, CaAlF5, a new mineral from fumaroles at the Eldfell and Hekla volcanoes, Iceland Mineralogical Magazine, 2012, 76, 751-760 |
| 9015026 | CIF | Fe5 Si3 | P 63/m c m | 6.7169; 6.7169; 4.696 90; 90; 120 | 183.483 | 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 = 4.5 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9015028 | CIF | B F4 H4 N | P n m a | 9.077; 5.679; 7.279 90; 90; 90 | 375.22 | Caron, A. P.; Ragle, J. L. Refinement of the structure of orthorhombic ammonium tetrafluoroborate, NH4BF4 Acta Crystallographica, Section B, 1971, 27, 1102-1107 |
| 9015030 | CIF | Al7.191 B3 Ca0.51 F0.752 Fe0.027 H3.248 Li1.359 Mn0.423 Na0.408 O30.248 Pb0.026 Si6 | R 3 m :H | 15.853; 15.853; 7.12 90; 90; 120 | 1549.65 | 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: L12, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015031 | CIF | Dy0.03 Er0.05 Gd0.02 H2 O4 Si0.73 Y0.78 Yb0.12 | I -4 2 d | 6.947; 6.947; 6.133 90; 90; 90 | 295.984 | Malcherek, T.; Mihailova, B.; Schluter, J.; Husdal, T. Atelisite-(Y), a new rare earth defect silicate of the KDP structure type European Journal of Mineralogy, 2012, 24, 1053-1060 |
| 9015032 | CIF | Fe O3 Si | P -1 | 6.628; 7.467; 22.607 115.32; 80.56; 95.49 | 997.26 | Weber, H. P. Ferrosilite III, the high-temperature polymorph of FeSiO3 Acta Crystallographica, Section C, 1983, 39, 1-3 |
| 9015033 | CIF | La O6 Ta Ti | P n m a | 10.942; 7.5831; 5.4614 90; 90; 90 | 453.156 | Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269 |
| 9015034 | CIF | C0.2 H2.912 Al0.4 O3.056 Zn0.6 | R -3 m :H | 3.06616; 3.06616; 22.6164 90; 90; 120 | 184.138 | Lozano, R. P.; Rossi, C.; La Iglesia, A.; Matesanz, E. Zaccagnaite-3R, a new Zn-Al hydrotalcite polytype from El Soplao cave (Cantabria, Spain) Note: polytype zaccagnaite-3R American Mineralogist, 2012, 97, 513-523 |
| 9015035 | CIF | Al7.239 B3 Ca0.487 F0.709 Fe0.111 H3.291 Li1.287 Mn0.363 Na0.435 O30.291 Pb0.022 Si6 Ti0.003 | R 3 m :H | 15.8636; 15.8636; 7.1119 90; 90; 120 | 1549.96 | 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: L1, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015037 | CIF | Fe1.4 Mn0.6 O4 Si | P b n m | 4.84857; 10.55545; 6.14054 90; 90; 90 | 314.266 | 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 |
| 9015039 | CIF | Al6.56 Ca2.44 Fe12 Mg0.44 Mn12.2 Na15.13 O120 P30 | P 1 c 1 | 13.4517; 12.5266; 26.6765 90; 101.582; 90 | 4403.57 | Tait, K. T.; Ercit, T. S.; Abdu, Y. A.; Cerny, P.; Hawthorne, F. C. The crystal structure and crystal chemistry of manitobaite, ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba Note: green sample The Canadian Mineralogist, 2011, 49, 1221-1242 |
| 9015040 | CIF | As3 Fe4 O21 | P -4 3 m | 7.98; 7.98; 7.98 90; 90; 90 | 508.17 | Mills, S. J.; Hager, S. L.; Leverett, P.; Williams, P. A.; Raudsepp, M. The structure of H3O+ - exchanged pharmacosiderite Mineralogical Magazine, 2010, 74, 487-492 |
| 9015042 | CIF | H14 O14 S Zn4 | P -3 | 8.33; 8.33; 10.54 90; 90; 120 | 633.375 | Groat, L. A. The crystal structure of namuwite, a mineral with Zn in tetrahedral and octahedral coordination, and its relationship to the synthetic basic zinc sulfates Note: U(1,2) for S has been changed to match symmetry constraints. American Mineralogist, 1996, 81, 238-243 |
| 9015045 | CIF | H2 O | R -3 :R | 7.78; 7.78; 7.78 113.1; 113.1; 113.1 | 304.25 | Kamb, B. Ice II: A proton-ordered form of ice Note: T = -75 C, P = 0.3 GPa Acta Crystallographica, 1964, 17, 1437-1449 |
| 9015046 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.6031; 6.6031; 9.71 90; 90; 120 | 366.645 | 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 = 2.14 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9015048 | CIF | Ag4.5 Bi7.4 Pb0.6 S16 Sb1.5 | C 1 2/m 1 | 13.515; 4.098; 26 90; 93; 90 | 1438.02 | Ilinca, G.; Makovicky, E. Note on the definition of borodayevite [Ag5(Fe,Pb)Bi7]13(Sb,Bi)2S17 Note: This structure is based on a theoretical construct, (11P), and is probably not an good model for borodayevite Neues Jahrbuch fur Mineralogie, Monatshefte, 1997, 1997, 337-353 |
| 9015050 | CIF | Be O | P 63 m c | 2.705; 2.705; 4.3927 90; 90; 120 | 27.835 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 763 K Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9015051 | CIF | Al1.46 Fe0.537 Mg1.002 O4 | F d -3 m :2 | 8.1698; 8.1698; 8.1698 90; 90; 90 | 545.298 | 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 = 35,340 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015053 | CIF | Cu1.894 H8 O11 Pb1.934 S1.15 Se0.85 | P 1 21/m 1 | 9.802; 5.675; 9.281 90; 102.443; 90 | 504.141 | Kampf, A. R.; Mills, S. J.; Housley, R. M. The crystal structure of munakataite, Pb2Cu2(Se4+O3)(SO4)(OH)4, from Otto Mountain, San Bernardino County, California, USA Mineralogical Magazine, 2010, 74, 991-998 |
| 9015054 | CIF | Ca O3 Sn | P b n m | 5.4538; 5.6162; 7.8006 90; 90; 90 | 238.93 | 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 = 5.18 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9015055 | CIF | Al3 H O13 Pb2 Si3 | P n m a | 16.4529; 5.6432; 10.3631 90; 90; 90 | 962.183 | Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G.; Gottschalk, M. Synthesis of Pb-zoisite and Pb-lawsonite Neues Jahrbuch fur Mineralogie, Abhandlungen, 2011, 188, 99-110 |
| 9015056 | CIF | C Fe O3 | R -3 c :H | 4.355; 4.355; 12.54 90; 90; 120 | 205.97 | 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 P25, P = 54.0 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015059 | CIF | Fe O2 | P 1 | 10.821; 6.002; 10.514 90; 92.6; 90 | 682.157 | Fernandez-Martinez A; Timon, V.; Roman-Ross G; Cuello, G. J.; Daniels, J. E.; Ayora, C. The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate Note: Model 1, positions of sulfate groups not determined American Mineralogist, 2010, 95, 1312-1322 |
| 9015061 | CIF | Al6.79 B O18 Si3 | P n m a | 4.6995; 11.779; 20.1671 90; 90; 90 | 1116.36 | Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D67 The Canadian Mineralogist, 2012, 50, 855-872 |
| 9015062 | CIF | Al2 As2 H18 Mg O18 | P -1 | 5.4363; 10.5; 7.075 97.701; 110.295; 102.021 | 360.987 | Meisser, N.; Brugger, J.; Krivovichev, S.; Armbruster, T.; Favreau, G. Description and crystal structure of maghrebite, MgAl2(AsO4)2(OH)2*8H2O, from Aghbar, Anti-Atlas, Morocco: first arsenate in the laueite mineral group European Journal of Mineralogy, 2012, 24, 717-726 |
| 9015063 | CIF | Ag0.29 As1.73 Pb2.956 S18 Sb7.794 Tl1.23 | P -1 | 8.0929; 8.761; 22.497 90.868; 97.247; 90.793 | 1581.96 | Orlandi, P.; Biagioni, C.; Bonaccorsi, E.; Moelo, Y.; Paar, W. H. Lead-antimony sulfosalts from Tuscany (Italy). XII. Boscardinite, TiPb4(Sb7As2)S9S18, a new mineral species from the Monte Arsiccio mine: Occurrence and crystal structure Monte Arsiccio, near Sant'Anna di Stazzema, Apuan Alps, Tuscany, Italy The Canadian Mineralogist, 2012, 50, 235-251 |
| 9015065 | CIF | Fe2 O3 | R -3 c :H | 5.0249; 5.0249; 13.7163 90; 90; 120 | 299.932 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 15.4 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9015066 | CIF | C Ca O3 | R -3 c :H | 4.9769; 4.9769; 17.3479 90; 90; 120 | 372.131 | 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 = 556 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015067 | CIF | Al21.6 B9 Ca0.06 F2.1 Fe2.727 H17.57 Li2.223 Mn0.27 Na2.49 O90.9 Si18 Zn0.18 | R 3 m :H | 15.9083; 15.9083; 7.1229 90; 90; 120 | 1561.11 | Bosi, F.; Andreozzi, G. B.; Skogby, H.; Lussier, A. J.; Abdu, Y.; Hawthorne, F. C. Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species of the tourmaline supergroup Note: standard SREF American Mineralogist, 2013, 98, 297-303 |
| 9015068 | CIF | Cu2 S | P 1 21/c 1 | 15.246; 11.884; 13.494 90; 116.35; 90 | 2190.86 | Evans, H. T. Crystal structure of low chalcocite Nature Physical Science, 1971, 232, 69-70 |
| 9015070 | CIF | Ba Cu2 Ge2 O7 | P n m a | 7.04765; 13.407; 7.02755 90; 90; 90 | 664.018 | Yamada, T.; Hiroi, Z.; Takano, M. Spin-1/2 quantum antiferromagnetic chains with tunable superexchange interactions found in BaCu2(Si1-xGex)2O7 Journal of Solid State Chemistry, 2001, 156, 101-109 |
| 9015073 | CIF | C Ca O3 | R -3 c :H | 4.9759; 4.9759; 17.4486 90; 90; 120 | 374.14 | 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 = 681 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015074 | CIF | Mg Mn O4 Si | P n m a | 10.451; 6.12446; 4.80757 90; 90; 90 | 307.717 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9015075 | CIF | C Fe O3 | R -3 c :H | 4.548; 4.548; 13.89 90; 90; 120 | 248.813 | 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 P9, P = 28.62 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015076 | CIF | Fe Se | P 63 m c | 3.636; 3.636; 5.946 90; 90; 120 | 68.077 | Franz, E. D. Rontgenographische Daten der Mischphasen im System Pyrit (FeS2) - Ferroselit (FeSe2)/Pyrrhotin (FeS) - Achavalit (FeSe) Neues Jahrbuch fur Mineralogie, Monatshefte, 1972, 1972, 276-280 |
| 9015077 | CIF | Al0.02 Ba3.92 Ca0.1 Fe0.17 Mg0.15 Mn0.38 Na2.16 Nb0.02 O26 P0.8 S1.02 Si4 Sr0.08 Ti2.96 | P 1 2/c 1 | 5.4206; 7.125; 29.314 90; 94.698; 90 | 1128.35 | Sokolova, E.; Camara, F.; Hawthorne, F. C. From structure topology to chemical composition. XI. Titanium silicates: crystal structures of innelite-1T and innelite-2M from the Inagli massif, Yakutia, Russia, and the crystal chemistry of innelite Note: this is the polytype innelite-2M Mineralogical Magazine, 2011, 75, 2495-2518 |
| 9015079 | CIF | Ba0.193 Cu O10 Si4 Sr0.807 | P 4/n c c :2 | 7.3752; 7.3752; 15.6902 90; 90; 90 | 853.446 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .193 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015080 | CIF | Fe0.54 K Li Mn1.46 Na2 O24 Si8 Ti2 | C 1 2/c 1 | 16.41; 12.55; 10.03 90; 115.5; 90 | 1864.41 | Borisov, S. V.; Klevtsova, R. F.; Bakakin, V. V.; Belov, N. V. The crystal structure of neptunite Soviet Physics Crystallography, 1966, 10, 684-689 |
| 9015081 | CIF | C13 H10 | P n a m | 8.49; 5.721; 18.97 90; 90; 90 | 921.397 | Burns, D. M.; Iball, J. The crystal and molecular structure of fluorene Note: Positions of hydrogen atoms were not given Proceedings of the Royal Society of London A, 1955, 227, 200-214 |
| 9015083 | CIF | Mg W | P 1 2/c 1 | 4.68; 5.66; 4.92 90; 89.67; 90 | 130.323 | Broch, E. Untersuchungen ueber Kristallstrukturen des Wolframittypus und des Scheelittypus _cod_database_code 1010642 Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo, 1929, 1, 1-618 |
| 9015084 | CIF | Al2 Ca6 H64 O50 S3 | P 3 1 c | 11.229; 11.229; 21.478 90; 90; 120 | 2345.34 | Goetz-Neunhoeffer F; Neubauer, J. Refined ettringite (Ca6Al2(SO4)3(OH)12*26H2O) structure for quantitative X-ray diffraction analysis Powder Diffraction, 2006, 21, 4-11 |
| 9015085 | CIF | Al1.356 Be3 Fe0.384 H10.944 Mg0.258 Na0.425 O18.912 Si6 | P 6/m c c | 9.2909; 9.2909; 9.1996 90; 90; 120 | 687.726 | Groat, L. A.; Rossman, G. R.; Dyar, M. D.; Turner, D.; Piccoli, P. M. B.; Schultz, A. J.; Ottolini, L. Crystal chemistry of dark blue aquamarine from the True Blue showing, Yukon Territory, Canada Note: X-ray The Canadian Mineralogist, 2010, 48, 597-613 |
| 9015086 | CIF | Al0.78 Ca1.5 H54.64 O45.32 P3 V5.22 | I -4 3 m | 15.441; 15.441; 15.441 90; 90; 90 | 3681.51 | Kampf, A. R.; Nash, B. P.; Loomis, T. A. Phosphovanadylite-Ca, Ca[V44+P2O8(OH)8]*12H2O, the Ca analogue of phosphovanadylite-Ba American Mineralogist, 2013, 98, 439-443 |
| 9015087 | CIF | O2 Si | P 41 21 2 | 4.9501; 4.9501; 6.9259 90; 90; 90 | 169.709 | 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 = 0.2 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9015088 | CIF | Al H0.08 O2 | A m a m | 3.693; 12.221; 2.865 90; 90; 90 | 129.304 | Hill, R. J. Hydrogen atoms in boehmite: A single crystal X-ray diffraction and molecular orbital study Clays and Clay Minerals, 1981, 29, 435-445 |
| 9015090 | CIF | Al7.53 B3.18 Ca0.03 F0.63 Fe0.03 H3.33 Li1.02 Mn0.39 Na0.66 O30.36 Si5.82 | R 3 m :H | 15.846; 15.846; 7.119 90; 90; 120 | 1548.06 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Elbaite 55224 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9015091 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.39428; 7.39428; 15.8573 90; 90; 90 | 867.004 | Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 250 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9015092 | CIF | As2 Fe0.37 Ni0.63 | P n n m | 5.3971; 6.1893; 2.9539 90; 90; 90 | 98.673 | Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F. Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Acta Chemica Scandinavica A, 1979, 33, 469-480 |
| 9015095 | CIF | As3 Rh | I m -3 | 8.4507; 8.4507; 8.4507 90; 90; 90 | 603.501 | 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 |
| 9015096 | CIF | Al2.925 H6.147 K0.876 Na0.071 O14.049 S2 | R -3 m :H | 6.9771; 6.9771; 17.36 90; 90; 120 | 731.864 | 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 = 100 C Mineralogical Magazine, 2012, 76, 613-623 |
| 9015097 | CIF | Bi2.5 Cu Pb2.5 S7 | P b m n | 14.387; 21.011; 4.046 90; 90; 90 | 1223.05 | Kohatsu, I.; Wuensch, B. J. The crystal structure of nuffieldite, Pb2Cu(Pb,Bi)Bi2S7 Zeitschrift fur Kristallographie, 1973, 138, 343-365 |
| 9015099 | CIF | Ca10 O24 P6 Se | P -3 | 9.5007; 9.5007; 6.8406 90; 90; 120 | 534.732 | 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 |
| 9015102 | CIF | Al6.63 B3 Ca0.29 H3.75 K0.02 Mg2.37 Na0.6 O31 Si6 | R 3 m :H | 15.923; 15.923; 7.201 90; 90; 120 | 1581.15 | Schmetzer, K.; Nuber, B.; Abraham, K. Zur Kristallchemie Magnesium-reicher Turmaline Neues Jahrbuch fur Mineralogie, Abhandlungen, 1979, 136, 93-112 |
| 9015104 | CIF | Fe5 Si3 | P 63/m c m | 6.7277; 6.7277; 4.695 90; 90; 120 | 184.035 | 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 = 3.6 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9015105 | CIF | Fe | F m -3 m | 3.498; 3.498; 3.498 90; 90; 90 | 42.802 | 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 = 21.57 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015106 | CIF | Fe6 H17 O27 P4 | C 1 2/c 1 | 20.953; 5.171; 19.266 90; 93.34; 90 | 2083.89 | Moore, P. B.; Kampf, A. R. Beraunite: Refinement, comparative crystal chemistry, and selected bond valences Zeitschrift fur Kristallographie, 1992, 201, 263-281 |
| 9015108 | CIF | Cl H12 | F m -3 m | 5.482; 5.482; 5.482 90; 90; 90 | 164.747 | Niimura, N.; Shimaoka, K.; Motegi, H.; Hoshino, S. Crystal structure and phase transition of hydrogen chloride Note: this phase is stable above 120 K Note: T = 135 K Journal of the Physical Society of Japan, 1972, 32, 1019-1026 |
| 9015109 | CIF | Al1.462 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.1706; 8.1706; 8.1706 90; 90; 90 | 545.459 | 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 750 C Annealing time = 15 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015110 | CIF | Fe3 Si | F m -3 m | 5.655; 5.655; 5.655 90; 90; 90 | 180.841 | Farquhar, M. C. M.; Lipson, H.; Weill, A. R. An X-ray study of iron-rich iron-silicon alloys Journal of the Iron and Steel Institute, 1945, 152, 457-472 |
| 9015111 | CIF | Cl Fe2 H3 O12 Te4 | P -1 | 5.1129; 6.6481; 9.0079 73.347; 78.053; 76.709 | 282.2 | Kampf, A. R.; Mills, S. J. The role of hydrogen in tellurites: crystal structure refinements of juabite, poughite and rodalquilarite Journal of Geosciences, 2011, 56, 235-247 |
| 9015113 | CIF | Al0.08 Ca0.96 F0.16 Fe6.55 H12.38 K0.14 Mg0.14 Mn0.35 Na0.12 Nb0.06 O34.64 Si7.92 Ti1.86 Zr0.04 | P -1 | 5.329; 11.803; 11.822 101.14; 98.224; 102.442 | 699.079 | Khomyakov, A. P.; Cámara F; Sokolova, E.; Abdu, Y.; Hawthorne, F. C. Sveinbergeite, Ca(Fe2+6Fe3+)Ti2(Si4O12)2O2(OH)5(H2O)4, a new astrophyllite-group mineral from the Larvik Plutonic Complex, Oslo Region, Norway: description and crystal structure Mineralogical Magazine, 2011, 75, 2687-2702 |
| 9015115 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8332; 7.6082; 9.6342 90; 90.147; 90 | 354.267 | Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study American Mineralogist, 2010, 95, 1413-1421 |
| 9015116 | CIF | Ca3.7 Ce0.9 F3.5 Na2.4 O14.5 Si4 Ti | P 21 1 1 | 5.679; 7.412; 18.836 101.26; 90; 90 | 777.597 | Rastsvetaeva, R. K.; Borutskii, B. E.; Shlyukova, Z. V. Crystal structure of Hibbing rinkite Soviet Physics Crystallography, 1991, 36, 349-351 |
| 9015117 | CIF | O0.984 Y0.065 Zr0.935 | P 42/n m c | 3.6055; 3.6055; 5.1797 90; 90; 90 | 67.334 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Acta Crystallographica, Section B, 1988, 44, 116-120 |
| 9015118 | CIF | Al Fe3 H36 O42 S6 | P -3 1 c | 10.917; 10.917; 17.0829 90; 90; 120 | 1763.19 | Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I. Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals The Canadian Mineralogist, 2010, 48, 323-333 |
| 9015119 | CIF | N4 O14 P2 Te | P -1 | 11.51; 6.484; 6.329 118.15; 105.8; 84.36 | 400.48 | Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C. Structures de deux phosphotellurates. Te(OH)6((NH4)2HPO4)2 and Te(OH)6(Na2HPO4)(H2O) Acta Crystallographica, Section B, 1979, 35, 1444-1447 |
| 9015122 | CIF | Bi2 Pb3 S6 | B b m m | 13.535; 20.451; 4.104 90; 90; 90 | 1136.01 | Takagi, J.; Takeuchi, Y. The crystal structure of lillianite Acta Crystallographica, Section B, 1972, 28, 649-651 |
| 9015123 | CIF | Ir Sb3 | I m -3 | 9.2533; 9.2533; 9.2533 90; 90; 90 | 792.3 | 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 |
| 9015124 | CIF | Ca1.784 Fe1.72 K0.1 Mg3.494 Na1.058 O24 Si8 | C 1 2/m 1 | 9.8165; 18.0126; 5.3002 90; 105.38; 90 | 903.623 | 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: FR12 P = 0.0001 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9015125 | CIF | O7 Si2 Sr V | A m a m | 7.06; 14.64; 5.33 90; 90; 90 | 550.9 | Takeuchi, Y.; Joswig, W. The structure of haradaite and a note on the Si-O bond lengths in silicates Mineralogical Journal, 1967, 5, 98-123 |
| 9015126 | CIF | Al2 Cu O4 | F d -3 m :2 | 8.0793; 8.0793; 8.0793 90; 90; 90 | 527.377 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl100h American Mineralogist, 2012, 97, 1821-1827 |
| 9015127 | CIF | Cu3 O8 V2 | P 1 21/c 1 | 6.2493; 7.9936; 6.3776 90; 111.49; 90 | 296.441 | Shannon, R. D.; Calvo, C. Crystal structure of a new form of Cu3V2O8 Canadian Journal of Chemistry, 1972, 50, 3944-3949 |
| 9015129 | CIF | Ba0.02 Ca0.88 H12.88 K1.34 Na1.64 Nb1.12 O34.44 Si8 Sr0.04 Ti2.88 | C 1 2/m 1 | 14.529; 14.203; 7.899 90; 117.37; 90 | 1447.53 | Azarova, Y. V.; Shlyukova, Z. V.; Zolotarev, A. A.; Organova, N. I. Burovaite-Ca, (Na,K)4Ca2(Ti,Nb)8[Si4O12]4(OH,O)8*12H2O, a new labuntsovite-group mineral species and its place in low-temperature mineral formation in pegmatites of the Khibiny Pluton, Kola Peninsula, Russia Geology of Ore Deposits, 2009, 51, 774-783 |
| 9015130 | CIF | H8 O12 S2 U | P n m a | 14.674; 11.093; 5.688 90; 90; 90 | 925.885 | Kierkegaard, P. The crystal structure of U(SO4)2*4H2O Acta Chemica Scandinavica, 1956, 10, 599-616 |
| 9015131 | CIF | Al0.666 O | F m -3 m | 3.95; 3.95; 3.95 90; 90; 90 | 61.63 | Verwey, E. J. W. Structure of the electrolytical oxide layer on aluminium Note: known as gamma-Al2O3 Zeitschrift fur Kristallographie, 1935, 91, 317-320 |
| 9015134 | CIF | Al5.46 B3 Ca0.54 F0.62 Fe0.02 H3.33 Li0.006 Mg3.5 Na0.42 O30.38 Si5.99 Ti0.06 | R 3 m :H | 15.973; 15.973; 7.213 90; 90; 120 | 1593.75 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Uvite 52210 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9015135 | CIF | Ca0.824 F Mn0.725 Na1.176 O8 Si2 Ti1.075 Zr0.2 | P 1 21/a 1 | 10.8044; 9.7945; 7.0532 90; 108.056; 90 | 709.639 | Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N. Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea The Canadian Mineralogist, 2012, 50, 593-609 |
| 9015137 | CIF | H6 Mg3.84 O19 Si6 | P n c n | 13.3765; 27.085; 5.2757 90; 90; 90 | 1911.4 | Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G Variability in sepiolite: Diffraction studies Note: Sample NOR225 Note: T = 225 C American Mineralogist, 2011, 96, 1443-1454 |
| 9015138 | CIF | H15.716 K3.762 O41.858 Si10 U4 | C 1 2/m 1 | 14.1957; 14.2291; 9.6305 90; 111.578; 90 | 1808.95 | Fejfarova, K.; Plasil, J.; Yang, H.; Cejka, J.; Dusek, M.; Downs, R. T.; Barkley, M. C.; Skoda, R. Revision of the crystal structure and chemical formula of weeksite, K2(UO2)2(Si5O13)*4H2O American Mineralogist, 2012, 97, 750-754 |
| 9015139 | CIF | Al K0.985 O4 Si | P 3 1 c | 5.1627; 5.1627; 8.7392 90; 90; 120 | 201.723 | 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 = 225 K American Mineralogist, 2010, 95, 1027-1034 |
| 9015141 | CIF | Ag As1.89 Mn1.6 Pb2.28 S12 Sb3.15 | P 1 21/n 1 | 19.233; 12.633; 8.476 90; 90.08; 90 | 2059.42 | Bindi, L.; Keutsch, F. N.; Bonazzi, P. Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt, belonging to the lillianite series from the Uchucchacua polymetallic deposit, Lima Department, Peru Note site occupancy model II American Mineralogist, 2012, 97, 440-446 |
| 9015142 | CIF | C H7 Cl Mg2 O7 | R 3 c :H | 23.14422; 23.14422; 7.22333 90; 90; 120 | 3350.84 | Sugimoto, K.; Dinnebier, R. E.; Schlecht, T. Chlorartinite, a volcanic exhalation product also found in industrial magnesia screed Note: this is the hydrated chlorartinite Journal of Applied Crystallography, 2006, 39, 739-744 |
| 9015143 | CIF | Al0.2 Ba1.6 Ca0.4 F Fe1.4 K0.1 Mg0.9 Mn0.5 Na1.1 Nb0.2 O17 Si4 Sr0.3 Ti1.3 | P 1 | 5.4027; 7.0656; 10.2178 99.816; 99.624; 90.085 | 378.747 | Rastsvetaeva, R. K.; Aksenov, S.; Chukanov, N. Crystal structure of schüllerite, a new mineral of the heterophyllosilicate family Doklady Chemistry, 2011, 437, 90-94 |
| 9015144 | CIF | Al3 As2 H6 La O14 | R -3 m :H | 7.0316; 7.0316; 16.5151 90; 90; 120 | 707.164 | Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Raudsepp, M. Arsenoflorencite-(La), a new mineral from the Komi Republic, Russian Federation: description and crystal structure European Journal of Mineralogy, 2010, 22, 613-621 |
| 9015148 | CIF | Na Nb0.85 O2.925 Ti0.15 | P b m a | 5.5396; 15.5705; 5.5087 90; 90; 90 | 475.149 | 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 = 0.15 Chemistry of Materials, 2003, 15, 1872-1878 |
| 9015149 | CIF | C Ca O3 | P m c n | 4.9703; 8.0272; 5.8087 90; 90; 90 | 231.753 | 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 = 337 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015150 | CIF | Ca2.862 O12 Si3 V1.902 | I a -3 d | 12.089; 12.089; 12.089 90; 90; 90 | 1766.73 | Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V. The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R090044 American Mineralogist, 2011, 96, 1278-1290 |
| 9015151 | CIF | Al Ba0.06 Ca0.23 Fe11.69 K0.68 Mg1.85 Na4.459 O50 P12 Sr0.23 | C 1 c 1 | 16.531; 10.004; 24.644 90; 105.943; 90 | 3918.77 | Steele, I. M. Arrojadite: variations in space group and composition based on four new refinements Sample: arropala General Meeting of the International Mineralogical Association, 2002, 18, MO2-117 |
| 9015152 | CIF | C Ca O3 | P m c n | 4.9672; 8.0157; 5.7938 90; 90; 90 | 230.684 | 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 = 275 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015155 | CIF | Fe1.001 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7516; 4.7516; 9.2856 90; 90; 90 | 209.648 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q2, treated at 600 C for 20 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015157 | CIF | Ca O3 Sn | P b n m | 5.4676; 5.6267; 7.8186 90; 90; 90 | 240.536 | 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 = 3.94 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9015158 | CIF | Be D2 O2 | P 21 21 21 | 4.5336; 4.6255; 7.0384 90; 90; 90 | 147.596 | 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: Neutron diffraction Zeitschrift fur Anorganische und Allgemeine Chemie, 1998, 624, 1130-1136 |
| 9015159 | CIF | As Cu3 H3 O7 | P 1 21/c 1 | 7.24; 6.46; 12.38 90; 99.5; 90 | 571.077 | Ghose, S.; Fehlmann, M.; Sundaralingam, M. The crystal structure of clinoclase, Cu3AsO4(OH)3 Acta Crystallographica, 1965, 18, 777-787 |
| 9015162 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7561; 4.7561; 9.203 90; 90; 90 | 208.176 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim24_q3, treated at 700 C for 450 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015163 | CIF | Al0.223 Fe0.141 H4 Mg2.742 O9 Si1.888 | P 3 1 m | 5.3259; 5.3259; 7.2726 90; 90; 120 | 178.651 | Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E. The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: Varana 1, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054 |
| 9015166 | CIF | Fe | F m -3 m | 3.569; 3.569; 3.569 90; 90; 90 | 45.461 | 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 = 8.02 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015167 | CIF | C Fe O3 | R -3 c :H | 4.519; 4.519; 13.47 90; 90; 120 | 238.223 | 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 P12, P = 38.5 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015170 | CIF | As2.847 Ca2.1 Mg1.762 Mn0.238 Na0.9 O12 Si0.12 | I a -3 d | 12.345; 12.345; 12.345 90; 90; 90 | 1881.37 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
| 9015172 | CIF | Fe0.2 Li0.84 Mn0.8 O4 P | P b n m | 4.7403; 10.4145; 6.0795 90; 90; 90 | 300.132 | Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F. A structural study of the lithiophilite-sicklerite series Sample 3, yellow The Canadian Mineralogist, 2012, 50, 843-854 |
| 9015173 | CIF | B4.56 F2.32 Mg8 O13.68 | P n a 21 | 20.44; 4.53; 11.8 90; 90; 90 | 1092.6 | Brovkin, A. A.; Nikishova, L. V. The crystal structure of a-Mg2BO3F and the isomorphic substitution (3F)=(BO3) Soviet Physics - Crystallography, 1975, 20, 452-455 |
| 9015174 | CIF | Fe Nb1.2 O6 Ta0.8 | P b c n | 14.2737; 5.73543; 5.0554 90; 90; 90 | 413.864 | dos Santos, C. A.; Zawislak, L. I.; Kinast, E. J.; Antonietti, V.; da Cunha, J. B. M. Crystal chemistry and structure of the orthorhombic (Fe,Mn)(Ta,Nb)2O6 family of compounds Note: Sample Fe(Ta0.4Nb0.6)2O6 Brazilian Journal of Physics, 2001, 31, 616-631 |
| 9015179 | CIF | Al1.608 Fe0.388 Mg1.002 O4 | F d -3 m :2 | 8.1483; 8.1483; 8.1483 90; 90; 90 | 541.005 | 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 = 6141 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015181 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.4641; 11.4641; 11.4641 90; 90; 90 | 1506.68 | 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 = 373.5 K American Mineralogist, 2011, 96, 1593-1605 |
| 9015182 | CIF | Cu29 S16 | P -1 | 13.409; 13.4051; 15.4852 90.022; 90.021; 90.02 | 2783.45 | Mumme, W. G.; Gable, R. W.; Petricek, V. The crystal structure of roxbyite, Cu58S32 The Canadian Mineralogist, 2012, 50, 423-430 |
| 9015183 | CIF | Al1.61 Fe0.388 Mg O4 | F d -3 m :2 | 8.1477; 8.1477; 8.1477 90; 90; 90 | 540.885 | 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 = 1680 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015184 | CIF | Ba0.402 Cu O10 Si4 Sr0.598 | P 4/n c c :2 | 7.38801; 7.38801; 15.8265 90; 90; 90 | 863.853 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .402 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015185 | CIF | Fe8 O17 | P 1 | 10.821; 6.002; 10.514 90; 92.6; 90 | 682.157 | Fernandez-Martinez A; Timon, V.; Roman-Ross G; Cuello, G. J.; Daniels, J. E.; Ayora, C. The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate Note: Model 2, positions of sulfate groups not determined American Mineralogist, 2010, 95, 1312-1322 |
| 9015188 | CIF | Al7.308 B3 Ca0.691 F0.678 Fe0.054 H3.321 Li1.611 Mg0.003 Mn0.024 Na0.234 O30.321 Pb0.006 Si6 Ti0.003 | R 3 m :H | 15.8303; 15.8303; 7.1017 90; 90; 120 | 1541.24 | 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: L20, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015189 | CIF | Hg2 I O | C 1 2/c 1 | 17.603; 6.981; 6.701 90; 101.61; 90 | 806.615 | Stalhandske, C.; Aurivillius, K.; Bertinsson, G. I. Structure of mercury(I,II) iodide oxide, Hg2OI Acta Crystallographica, Section C, 1985, 41, 167-168 |
| 9015191 | CIF | Be O | P 63 m c | 2.6983; 2.6983; 4.3776 90; 90; 120 | 27.602 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 2 in cell Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9015192 | CIF | Mg Mn O4 Si | P n m a | 10.451; 6.12446; 4.80757 90; 90; 90 | 307.717 | 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 |
| 9015194 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.5518; 6.5518; 9.6503 90; 90; 120 | 358.751 | 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 = 4.28 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9015195 | CIF | As Cu1.45 Fe0.55 O5 | P n n m | 8.6235; 8.2757; 5.9501 90; 90; 90 | 424.632 | Mills, S. J.; Kampf, A. R.; Poirier, G.; Raudsepp, M.; Steele, I. M. Auriacusite, Fe3+Cu2+AsO4O, the first M3+ member of the olivenite group, from the Black Pine mine, Montana, USA Mineralogy and Petrology, 2010, 99, 113-120 |
| 9015197 | CIF | Al2.21 Ca2 Fe0.58 H Mn0.21 O13 Si3 | P 1 21/m 1 | 8.898; 5.6549; 10.1752 90; 115.428; 90 | 462.39 | 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=0.75, run 27 American Mineralogist, 2010, 95, 1237-1246 |
| 9015198 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.514; 12.514; 5.034 90; 90; 120 | 682.71 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 1.39 GPa American Mineralogist, 2012, 97, 872-882 |
| 9015199 | CIF | Cl2 F12 Pb7 | P -6 | 10.267; 10.267; 3.9844 90; 90; 120 | 363.731 | Merlino, S.; Pasero, M.; Perchiazzi, N.; Kampf, A. R. Laurelite: Its crystal structure and relationship to alpha-PbF2 Note: Re-examination of the crystal by H Yang and A Kampf showed that it was twinned, and the partially occupied sites were relicts. American Mineralogist, 1996, 81, 1277-1281 |
| 9015201 | CIF | Bi2 Pb Se4 | R -3 m :H | 4.16; 4.16; 39.2 90; 90; 120 | 587.494 | Agaev, K. A.; Semiletov, S. A. Electron diffraction study of the structure of PbBi2Se4 Kristallografiya, 1968, 13, 258-260 |
| 9015202 | CIF | Al1.609 Fe0.388 Mg1.001 O4 | F d -3 m :2 | 8.1476; 8.1476; 8.1476 90; 90; 90 | 540.865 | 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 = 15 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015204 | CIF | Al6.516 B3 Ca0.156 Cr0.009 F0.06 Fe1.026 H3.094 K0.015 Mg1.359 Mn0.006 Na0.348 O30.94 Si6 Ti0.069 V0.006 | R 3 m :H | 15.935; 15.935; 7.16 90; 90; 120 | 1574.52 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample O-T16-92 American Mineralogist, 1999, 84, 922-928 |
| 9015206 | CIF | Cu1.95 Se | F m -3 m | 5.787; 5.787; 5.787 90; 90; 90 | 193.803 | 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: Cu2Se (high) Model 2, T = 433 K Journal of Solid State Chemistry, 1991, 93, 202-211 |
| 9015207 | CIF | Fe Ge3 H4 O10 Pb | P 1 21/m 1 | 5.8279; 13.615; 6.3097 90; 127.314; 90 | 398.184 | Origlieri, M. J.; Yang, H.; Downs, R. T.; Posner, E. S.; Domanik, K. J.; Pinch, W. W. The crystal structure of bartelkeite, with a revised chemical formula, PbFeGeVI(GeIV2O7)(OH)2*H2O, isotypic with high-pressure P21/m lawsonite American Mineralogist, 2012, 97, 1812-1815 |
| 9015208 | CIF | H2 O | P 63/m m c | 4.497479; 4.497479; 7.322382 90; 90; 120 | 128.269 | Fortes, A. D.; Wood, I. G.; Grigoriev, D.; Alfredsson, M.; Kipfstuhl, S.; Knight, K. S.; Smith, R. I. No evidence for large-scale proton ordering in Antarctic ice from powder neutron diffraction Note: T = 100 K Note: known as ice-IH Journal of Chemical Physics, 2004, 120, 11376-11379 |
| 9015211 | 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: X-ray data Physics and Chemistry of Minerals, 2012, 39, 577-588 |
| 9015212 | CIF | Al3.9 Ca1.95 H26 O37 Si8.1 | R -3 m :R | 9.42; 9.42; 9.42 94.28; 94.28; 94.28 | 828.533 | Smith, J. V.; Rinaldi, F.; Dent Glasser, L. S. Crystal structures with a chabazite framework. II. Hydrated Ca-chabazite at room temperature Acta Crystallographica, 1963, 16, 45-53 |
| 9015213 | CIF | Al2 H4 O10 Pb Si2 | P b n m | 5.85; 9.03; 13.31 90; 90; 90 | 703.107 | Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G.; Gottschalk, M. Synthesis of Pb-zoisite and Pb-lawsonite Neues Jahrbuch fur Mineralogie, Abhandlungen, 2011, 188, 99-110 |
| 9015214 | CIF | Mg1.84 O4 Si0.93 | F d -3 m :2 | 8.143; 8.143; 8.143 90; 90; 90 | 539.95 | 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 = 736 K American Mineralogist, 2012, 97, 573-582 |
| 9015215 | CIF | As2 Cu3 O8 | P 1 21/c 1 | 6.306; 8.643; 11.31 90; 92.26; 90 | 615.947 | Starova, G. L.; Vergasova, L. P.; Filatov, S. K.; Britvin S N. Ananyev V V Lammerite-beta, Cu3(AsO4)2 - a new mineral from fumaroles of the Great Fissure Tolbachic eruption (Kamchatka, Russia) Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2011, 140, 46-51 |
| 9015217 | CIF | Fe24.97 Mg35.53 O108 Sb20.496 | F d -3 m :2 | 25.93; 25.93; 25.93 90; 90; 90 | 17434.4 | Bonazzi, P.; Chelazzi, L.; Bindi, L. Superstructure, crystal chemistry, and cation distribution in filipstadite, a Sb5±bearing, spinel-related mineral American Mineralogist, 2013, 98, 361-366 |
| 9015218 | CIF | Al1.609 Fe0.389 Mg O4 | F d -3 m :2 | 8.1482; 8.1482; 8.1482 90; 90; 90 | 540.985 | 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 = 1533 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015219 | CIF | Fe O4 P | P b n m | 4.76; 9.68; 5.819 90; 90; 90 | 268.121 | Bjorling, C. O.; Westgren, A. Minerals of the Varustrask Pegmatite. IX. X-ray studies of triphylite, varulite and their oxidation products Geologiska Foreningens i Stockholm Forhandlingar, 1938, 60, 67-72 |
| 9015222 | CIF | Nd O6 Ta Ti | P n m a | 10.9771; 7.5051; 5.3602 90; 90; 90 | 441.596 | Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269 |
| 9015224 | CIF | As2 Cu5 O12 | P -1 | 6.121; 6.251; 6.79 92.93; 111.3; 107.47 | 227.109 | Tillmanns, E.; Hofmeister, W.; Petitjean, K. Cornubite, Cu5(AsO4)2(OH)4, first occurence of single crystals, mineralogical description and crystal structure Bulletin of the Geological Society of Finland, 1985, 57, 119-127 |
| 9015225 | CIF | Al13.571 B3.58 Fe0.8 Mg1.634 O37 Si4 | P -1 | 7.98539; 8.15541; 11.4021 110.436; 110.872; 84.678 | 649.732 | Grew, E. S.; Armbruster, T.; Lazic, P.; Yates, M. G.; Medenbach, O.; Huijsmans, J. P. P. Werdingite from a pegmatite at Almgjotheii, Rogaland, Norway: The role of iron in a borosilicate with a mullite-type structure European Journal of Mineralogy, 2011, 23, 577-589 |
| 9015226 | CIF | Ca9 F0.96 O17.04 Si4 | P 21/b 1 1 | 5.0687; 11.3579; 15.4004 100.598; 90; 90 | 871.474 | Galuskin, E. V.; Lazic, B.; Armbruster, T.; Galuskina, I. O.; Pertsev, N. N.; Gazeev, V. M.; Wlodyka, R.; Dulski, M.; Dzierzanowski, P.; Zadov, A. E.; Dubrovinsky, L. S. Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series of calcium humite-group minerals from altered xenoliths in the ignimbrite of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia American Mineralogist, 2012, 97, 1998-2006 |
| 9015227 | CIF | Ca3.46 F2 Na2.1 O20 Si8 Sr0.3 | P -1 | 7.788; 18.941; 6.995 90.17; 116.78; 94.16 | 918.013 | Rozhdestvenskaya, I. V.; Nikishova, L. V. Crystal structure of Na(Ca,Sr)2Si4O10F strontium agrellite from Yakutian charoitites: agrellite polytypes Crystallography Reports, 1998, 43, 589-597 |
| 9015228 | CIF | As3 Ca4 H9 O16 | P 1 21/c 1 | 5.8279; 10.1802; 22.8944 90; 96.943; 90 | 1348.35 | Yang, H.; Evans, S. H.; Downs, R. T.; Jenkins, R. A. The crystal structure of vladimirite, with a revised chemical formula, Ca4(AsO4)2(AsO3OH)*4H2O Note: Sample R100075 The Canadian Mineralogist, 2011, 49, 1055-1064 |
| 9015230 | CIF | As Cd Cu H O5 | P n m a | 7.415; 5.89; 9.016 90; 90; 90 | 393.768 | Effenberger, H. CdCu(OH)(AsO4), the first Cd member of the adelite-descloizite structure type Zeitschrift fur Kristallographie, 2002, 19, 85-85 |
| 9015234 | CIF | Cu Fe S2 | I -4 2 d | 5.29; 5.29; 10.4217 90; 90; 90 | 291.642 | Knight, K. S.; Marshall, W. G.; Zochowski, S. W. The low-temperature and high-pressure thermoelastic and structural properties of chalcopyrite, CuFeS2 T = 300 K The Canadian Mineralogist, 2011, 49, 1015-1034 |
| 9015236 | CIF | Ba O3 Ti | R 3 m :R | 4.00385; 4.00385; 4.00385 89.843; 89.843; 89.843 | 64.184 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 130 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9015238 | CIF | Ca12 F H1.82 K6.58 Na3.66 O91.41 Si35 Sr0.69 | P 1 21/m 1 | 32.11; 19.77; 7.23 90; 95.85; 90 | 4565.81 | Rozhdestvenskaya, I. V.; Mugnaioli, E.; Czank, M.; Depmeier, W.; Kolb, U.; Merlino, S. Essential features of the polytypic charoite-96 structure compared to charoite-90 Note: This structure is polytype charoite-96 Mineralogical Magazine, 2011, 75, 2833-2846 |
| 9015242 | CIF | Ca3 H30 O25.66 S1.82 Si | P 63/m | 11.1548; 11.1548; 10.5702 90; 90; 120 | 1139.04 | Chukanov, N. V.; Britvin, S. N.; Van, K. V.; Mockel, S.; Zadov, A. E. Kottenheimite, Ca3Si(OH)6(SO4)2*12H2O, a new member of the ettringite group from the Eifel area, Germany Rhineland-Palatinate, Germany The Canadian Mineralogist, 2012, 50, 55-63 |
| 9015244 | CIF | Cl2 Fe | R -3 m :H | 3.603; 3.603; 17.536 90; 90; 120 | 197.147 | Wilkinson, M. K.; Cable, J. W.; Wollan, E. O.; Koehler, W. C. Neutron diffraction investigations of the magnetic ordering in FeBr2, CoBr2, FeCl2, and CoCl2 Physical Review, 1959, 113, 497-507 |
| 9015245 | CIF | Al6.591 B3.018 Ca0.05 F0.58 Fe1.896 H3.18 K0.01 Li0.069 Mg0.228 Mn0.288 Na0.76 O30.42 Si5.772 Ti0.12 Zn0.009 | R 3 m :H | 15.987; 15.987; 7.163 90; 90; 120 | 1585.47 | Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E. Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample TK12 European Journal of Mineralogy, 2012, 24, 695-715 |
| 9015246 | CIF | Ca O12.18 Si4 V | P n m a | 9.39; 13.11; 9.39 90; 90; 90 | 1155.94 | Danisi, R. M.; Armbruster, T.; Lazic, B. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 350 C American Mineralogist, 2012, 97, 1874-1880 |
| 9015247 | CIF | Mg1.8 O4 Si0.97 | F d -3 m :2 | 8.1115; 8.1115; 8.1115 90; 90; 90 | 533.708 | 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: at room T after heating to T = 736 K, split Si model American Mineralogist, 2012, 97, 573-582 |
| 9015248 | CIF | Al0.02 Ca9 Fe0.35 H Mg0.62 Mn0.02 O28 P7 | R 3 c :H | 10.359; 10.359; 37.0857 90; 90; 120 | 3446.46 | Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H. Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds The Canadian Mineralogist, 2011, 49, 1065-1078 |
| 9015251 | CIF | O5 Pb3 Se | C m c 21 | 10.5384; 10.7452; 5.7577 90; 90; 90 | 651.986 | Kampf, A. R.; Mills, S. J.; Pinch, W. W. Plumboselite, Pb3O2(SeO3), a new oxidation-zone mineral from Tsumeb, Namibia Mineralogy and Petrology, 2011, 101, 75-80 |
| 9015253 | CIF | Ca3.48 Ce0.5 F2.6 La0.18 Na2.28 Nb0.33 Nd0.24 O15.4 Pr0.06 Si4 Sm0.04 Ti0.64 Y0.1 Zr0.03 | P 1 21/c 1 | 7.4328; 5.6595; 18.8181 90; 101.353; 90 | 776.112 | Camara, F.; Sokolova, E.; Hawthorne, F. C. From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample 1991c Mineralogical Magazine, 2011, 75, 2755-2774 |
| 9015255 | CIF | Eu2 O7 Ta2 | C m c m | 3.9542; 27.142; 5.692 90; 90; 90 | 610.893 | Jacobsen, H.; Lissner, F.; Manek, E.; Meyer, G. Crystal structures of dieuropium(II) ditantalum heptoxide, Eu2Ta2O7 and europium(II) ditantalum hexoxide, EuTa2O6 Zeitschrift fur Kristallographie, 1996, 211, 547-548 |
| 9015256 | CIF | Al2.01 Cu0.01 Mg0.99 O4 | F d -3 m :2 | 8.0853; 8.0853; 8.0853 90; 90; 90 | 528.553 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl05b American Mineralogist, 2012, 97, 1821-1827 |
| 9015258 | CIF | Fe | F m -3 m | 3.533; 3.533; 3.533 90; 90; 90 | 44.099 | 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 = 15.58 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015259 | CIF | Al7.29 Fe0.71 H42 O48 P6 | P 1 21/n 1 | 10.604; 16.608; 20.647 90; 98.848; 90 | 3592.9 | Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Spratt, J.; Favreau, G. The crystal structure determination and redefinition of matulaite, Fe3+Al7(PO4)4(PO3OH)2(OH)8(H2O)8*8H2O Mineralogical Magazine, 2012, 76, 517-534 |
| 9015260 | CIF | C Fe O3 | R -3 c :H | 4.527; 4.527; 13.57 90; 90; 120 | 240.842 | 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 P11, P = 36.3 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015264 | CIF | Cl F O Pb2 | I 4/m m m | 4.065; 4.065; 12.631 90; 90; 90 | 208.717 | Turner, R. W.; Siidra, O. I.; Krivovichev, S. V.; Stanley, C. J.; Spratt, J. Rumseyite, [Pb2OF]Cl, the first naturally occurring fluoroxychloride mineral with the parent crystal structure for layered lead oxychlorides Mineralogical Magazine, 2012, 76, 1247-1255 |
| 9015265 | CIF | Rh Sb3 | I m -3 | 9.2322; 9.2322; 9.2322 90; 90; 90 | 786.893 | 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 |
| 9015266 | CIF | Al2 Ca0.019 H4 O10 Si2 Sr0.981 | P 1 21/m 1 | 5.4222; 13.2778; 5.8584 90; 124.42; 90 | 347.929 | 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 #AU89 American Mineralogist, 2010, 95, 724-735 |
| 9015267 | CIF | Cu3 Mo1.94 O9 S0.06 | P n m a | 7.6638; 6.867; 14.5554 90; 90; 90 | 766.012 | Zelenski, M. E.; Zubkova, N. V.; Pekov, I. V.; Polekhovsky, Y. S.; Pushcharovsky, D. Y. Cupromolybdite, Cu3O(MoO4)2, a new fumarolic mineral from the Tolbachik volcano, Kamchatka Peninsula, Russia European Journal of Mineralogy, 2012, 24, 749-757 |
| 9015268 | CIF | Al8.64 B4.2 H3 Li0.36 Na0.76 O31 Si4.8 | R 3 m :H | 15.723; 15.723; 7.068 90; 90; 120 | 1513.21 | Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R. Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-11 American Mineralogist, 2012, 97, 1591-1597 |
| 9015269 | CIF | Al2 Ca0.807 H4 O10 Si2 Sr0.193 | C m c m | 5.8457; 8.8286; 13.1834 90; 90; 90 | 680.387 | 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 #AU62 American Mineralogist, 2010, 95, 724-735 |
| 9015271 | CIF | Al2.46 Cu2.86 H36 O36 Sb3 Zn3.68 | R -3 :H | 5.34; 5.34; 88.01 90; 90; 120 | 2173.43 | Mills, S. J.; Christy, A. G.; Kampf, A. R.; Housley, R. M.; Favreau, G.; Boulliard, J. C.; Bourgoin, V. Zincalstibite-9R: the first nine-layer polytype with the layered double hydroxide structure-type Mineralogical Magazine, 2012, 76, 1337-1345 |
| 9015272 | CIF | Al2 Cu0.24 Mg0.76 O4 | F d -3 m :2 | 8.0867; 8.0867; 8.0867 90; 90; 90 | 528.827 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl50bw American Mineralogist, 2012, 97, 1821-1827 |
| 9015273 | CIF | Fe1.1 Mg0.75 Mn0.15 O4 Si | P b n m | 4.809; 10.42; 6.08 90; 90; 90 | 304.667 | Hazen, R. M. Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 300 deg C, P = 1 atm American Mineralogist, 1977, 62, 286-295 |
| 9015274 | CIF | Mg2 O4 Si | I m m a | 5.7321; 11.4998; 8.3163 90; 90; 90 | 548.194 | Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J. High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 929 K American Mineralogist, 2012, 97, 1582-1590 |
| 9015276 | CIF | C0.74 H2.46 Al3 Ca0.44 Fe0.04 Na3.16 O15.45 Si3 | P 63 | 12.75; 12.75; 5.14 90; 90; 120 | 723.626 | Jarchow, O. Atomanordnung und Strukturverfeinerung von Cancrinit Zeitschrift fur Kristallographie, 1965, 122, 407-422 |
| 9015277 | CIF | La0.3 Nb2 O6 Sr0.7 | P n m a | 11.053; 7.64; 5.556 90; 90; 90 | 469.176 | 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 |
| 9015279 | CIF | Nb2 Nd0.67 O6 | P m m m | 3.8809; 3.9049; 7.838 90; 90; 90 | 118.781 | 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: Nd2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = 0 Inorganic Materials, 2004, 40, 1324-1330 |
| 9015281 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.0845; 5.477; 9.8785 90; 90; 90 | 870.245 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 5.145 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9015282 | CIF | Fe2.856 H6.73 Na0.75 O14 S2 | C 1 2/m 1 | 12.74852; 7.34697; 6.98243 90; 127.197; 90 | 520.945 | Scarlett, N. V. Y.; Grey, I. E.; Brand, H. E. A. Ordering of iron vacancies in monoclinic jarosites Note: T = 95 C American Mineralogist, 2010, 95, 1590-1593 |
| 9015284 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.447; 12.447; 5.006 90; 90; 120 | 671.662 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 2.33 GPa American Mineralogist, 2012, 97, 872-882 |
| 9015285 | CIF | Mg1.9 O4 Si | F d -3 m :2 | 8.086; 8.086; 8.086 90; 90; 90 | 528.69 | 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 = 350 K American Mineralogist, 2012, 97, 573-582 |
| 9015286 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.833; 7.6074; 9.631 90; 90.175; 90 | 354.097 | Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 250 K American Mineralogist, 2010, 95, 1413-1421 |
| 9015291 | CIF | Al1.461 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.169; 8.169; 8.169 90; 90; 90 | 545.138 | 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 = 960 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015293 | CIF | Cu2 Se | F m -3 m | 5.787; 5.787; 5.787 90; 90; 90 | 193.803 | 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: Cu2Se (high) Model 1, T = 433 K Journal of Solid State Chemistry, 1991, 93, 202-211 |
| 9015294 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.0796; 5.4721; 9.869 90; 90; 90 | 868.365 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 5.533 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9015295 | CIF | C H O4 Tm | P 21 21 21 | 6.9028; 4.7833; 8.5086 90; 90; 90 | 280.938 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9015296 | CIF | Cl2 Fe | R -3 m :H | 3.598; 3.598; 17.481 90; 90; 120 | 195.983 | Vettier, C.; Yelon, W. B. The structure of FeCl2 at high pressures Note: P = 1.04 kbar Journal of Physics and Chemistry of Solids, 1975, 36, 401-405 |
| 9015299 | CIF | Nb2 O6 Sr | P n m a | 10.9862; 7.7223; 5.5944 90; 90.372; 90 | 474.612 | 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 |
| 9015302 | CIF | As Pb S4 Sb | P 1 21/c 1 | 8.527; 7.971; 20.102 90; 101.814; 90 | 1337.36 | Makovicky, E.; Topa, D.; Tajjedin, H.; Rastad, E.; Yaghubpur, A. The crystal structure of guettardite, PbAsSbS4, and the twinnite-guettardite problem The Canadian Mineralogist, 2012, 50, 253-265 |
| 9015304 | CIF | Al2 Cu0.12 Mg0.88 O4 | F d -3 m :2 | 8.0857; 8.0857; 8.0857 90; 90; 90 | 528.631 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl30bw American Mineralogist, 2012, 97, 1821-1827 |
| 9015305 | CIF | Al0.37 Ca2 Fe1.63 O5 | P n m a | 5.3769; 14.6032; 5.5712 90; 90; 90 | 437.45 | 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 = 0.37 Note: P = 2.015 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9015308 | CIF | Mg O6 Sb2 | P 42/m n m | 4.63; 4.63; 9.21 90; 90; 90 | 197.434 | Bystrom, A.; Hok, B.; Mason, B. The crystal structure of zinc metantimonate and similar compounds Arkiv for Kemi, Mineralogi och Geologi, 1942, 1-8 |
| 9015309 | CIF | O2 Si | P 1 21/c 1 | 7.803; 4.382; 8.366 90; 118.7; 90 | 250.913 | 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 = 10.1 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9015312 | CIF | As2 Ca H4 O8 | P -1 | 8.558; 7.697; 5.721 92.35; 109.52; 109.59 | 329.621 | Ferraris, G.; Jones, D. W.; Yerkess, J. A neutron diffraction study of the crystal structure of calcium bis(dihydrogen arsenate), Ca(H2AsO4)2 Acta Crystallographica, Section B, 1972, 28, 2430-2437 |
| 9015314 | CIF | Ca H8 O15 Si4 V | P c m n | 9.7614; 13.6666; 9.6049 90; 90; 90 | 1281.34 | 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 = 296 K The Canadian Mineralogist, 2011, 49, 1267-1272 |
| 9015315 | CIF | Al2.036 Ca1.16 Fe0.964 H Mn0.128 Nd0.712 O13 Si3 | P 1 21/m 1 | 8.8897; 5.7308; 10.101 90; 115.166; 90 | 465.751 | Skoda, R.; Cempirek, J.; Filip, J.; Novak, M.; Veselovsky, F.; Ctvrtlik, R. Allanite-(Nd), CaNdAl2Fe2+(SiO4)(Si2O7)O(OH), a new mineral from Askagen, Sweden American Mineralogist, 2012, 97, 983-988 |
| 9015316 | CIF | C0.767 H1.998 Al2.82 Ca0.6 Na3.155 O15.3 Si3.18 | P 63 | 12.625; 12.625; 5.122 90; 90; 120 | 707.022 | 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# tz3/1 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9015318 | CIF | Ca0.74 Ce0.03 K0.6 Mg0.04 Mn0.2 Na0.9 O20 Pb0.01 Si8 Th0.88 | P 4/m c c | 7.58; 7.58; 14.77 90; 90; 90 | 848.631 | Prichard, P.; Perrault, G. Structure cristalline de l'ekanite de St-Hilaire, P.Q. Acta Crystallographica, Section B, 1972, 28, 1994-1999 |
| 9015320 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9615; 7.9629; 5.7428 90; 90; 90 | 226.886 | 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, high-temperature experiment American Mineralogist, 2012, 97, 707-712 |
| 9015321 | CIF | Fe | F m -3 m | 3.485; 3.485; 3.485 90; 90; 90 | 42.326 | 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 = 24.19 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015324 | CIF | C Fe O3 | R -3 c :H | 4.664; 4.664; 15.168 90; 90; 120 | 285.743 | 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 P2, P = 3.48 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015325 | CIF | Al0.76 Cr0.24 Nb O4 | C 1 2/m 1 | 12.1881; 3.7726; 6.5033 90; 107.7; 90 | 284.872 | Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N25 American Mineralogist, 2012, 97, 910-917 |
| 9015326 | CIF | Al7 Ca6.66 Cl1.11 O16 | I -4 3 d | 11.98; 11.98; 11.98 90; 90; 90 | 1719.37 | Ma, C.; Connolly, H. C.; Beckett, J. R.; Tschauner, O.; Rossman, G. R.; Kampf, A. R.; Zega, T. J.; Sweeney Smith, S. A.; Schrader, D. L. Brearleyite, Ca12Al14O32Cl2, a new alteration mineral from the NWA 1934 meteorite American Mineralogist, 2011, 96, 1199-1206 |
| 9015327 | CIF | As Cu2 H7 O8 | P 21 21 21 | 10.506; 10.506; 6.103 90; 90; 90 | 673.625 | Eby, R. K.; Hawthorne, F. C. Euchroite, a heteropolyhedral framework structure Acta Crystallographica, Section C, 1989, 45, 1479-1482 |
| 9015328 | CIF | S Ti | R -3 m :H | 3.417; 3.417; 26.455 90; 90; 120 | 267.503 | Hahn, H.; Harder, B. Zur Kristallstruktur der Titansulfide Zeitschrift fur Anorganische und Allgemeine Chemie, 1956, 288, 241-256 |
| 9015329 | CIF | C0.55 Na4 O7.45 S1.45 | P m n m :2 | 5.177; 9.224; 7.066 90; 90; 90 | 337.42 | Giuseppetti, G.; Mazzi, F.; Tadini, C. The crystal structure of synthetic burkeite Sample B Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 203-221 |
| 9015332 | CIF | Hg I2 | P 42/n m c :2 | 4.358; 4.358; 12.3 90; 90; 90 | 233.604 | 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 = 10 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9015333 | CIF | F H Mg O | P n m a | 10.1299; 3.0723; 4.676 90; 90; 90 | 145.527 | Crichton, W. A.; Parise, J. B.; Muller, H.; Breger, J.; Marshall, W. G.; Welch, M. D. Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures Mineralogical Magazine, 2012, 76, 25-36 |
| 9015334 | CIF | Cr6 Fe18 Mo5 | I -4 3 m | 8.92; 8.92; 8.92 90; 90; 90 | 709.732 | Kasper, J. S. The ordering of atoms in the chi-phase of the iron-chromium-molybdenum system Acta Metallurgica, 1954, 2, 456-461 |
| 9015335 | CIF | Fe0.46 Mg0.04 Mn0.16 S Zn0.32 | P 63 m c | 3.8357; 3.8357; 6.3002 90; 90; 120 | 80.274 | Ma, C.; Beckett, J. R.; Rossman, G. R. Buseckite, (Fe,Zn,Mn)S, a new mineral from the Zaklodzie meteorite American Mineralogist, 2012, 97, 1226-1233 |
| 9015337 | CIF | Fe2.97 Mn0.024 Ni0.027 Si | F m -3 m | 5.67; 5.67; 5.67 90; 90; 90 | 182.284 | Yu, Z. Two new minerals gupeiite and xifengite in cosmic dusts from Yanshan Acta Petrologica Mineralogica et Analytica, 1984, 3, 231-238 |
| 9015338 | CIF | Ba Cu O10 Si4 | P 4/n c c :2 | 7.43602; 7.43602; 16.1302 90; 90; 90 | 891.91 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 1.000 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015340 | CIF | Cr H O2 | P 21 n m | 4.8623; 4.2972; 2.9567 90; 90; 90 | 61.778 | Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N. Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9 European Journal of Mineralogy, 2012, 24, 839-850 |
| 9015341 | CIF | Mg1.92 O4 Si | F d -3 m :2 | 8.103; 8.103; 8.103 90; 90; 90 | 532.032 | 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 = 537 K American Mineralogist, 2012, 97, 573-582 |
| 9015343 | CIF | Ca2 Fe2 H O15 Si5 | P 1 | 12.18; 6.68; 7.5 93.98; 112.32; 86.05 | 562.539 | Kosoi, A. L. Structure of babingtonite Kristallografiya, 1975, 20, 730-739 |
| 9015344 | CIF | Fe O4 Sb2 | P 42/m b c | 8.5758; 8.5758; 5.8983 90; 90; 90 | 433.787 | Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M. Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 0.5 GPa Journal of Physics: Condensed Matter, 2006, 18, S1021-S1037 |
| 9015346 | CIF | Ni Ti0.885 | P -3 | 7.3715; 7.3715; 5.302 90; 90; 120 | 249.507 | 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 |
| 9015347 | CIF | Al7.251 B3 Ca0.638 F0.666 Fe0.132 H3.333 Li1.566 Mg0.015 Mn0.03 Na0.284 O30.333 Pb0.006 Si6 Ti0.006 | R 3 m :H | 15.8399; 15.8399; 7.103 90; 90; 120 | 1543.4 | 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: L21, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015349 | CIF | Pb4.819 S11 Sb4.161 | P b n m | 21.285; 23.525; 4.019 90; 90; 90 | 2012.43 | Bente, K.; Meier-Salimi M Substitution experiments and structure investigations on Ag-Tl-bearing boulangerites - a contribution to the rayite problem Neues Jahrbuch fur Mineralogie, Abhandlungen, 1991, 163, 212-216 |
| 9015351 | CIF | Al12 H46.48 K7.447 O95.24 Si24 Tl3.813 | 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 conventional diffractometer radiation European Journal of Mineralogy, 1990, 2, 749-759 |
| 9015352 | CIF | Al1.609 Fe0.391 Mg O4 | F d -3 m :2 | 8.1466; 8.1466; 8.1466 90; 90; 90 | 540.666 | 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 = 35,340 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015353 | CIF | Al9 Ca Fe H Mg O17 | P 1 c 1 | 5.6973; 17.1823; 23.5718 90; 90; 90 | 2307.51 | Rastsvetaeva, R. K.; Aksenov, S. M.; Verin, I. A. Crystal structure of complex natural aluminum magnesium calcium iron oxide Crystallography Reports, 2010, 55, 563-568 |
| 9015355 | CIF | O2 Ti | P 1 21/c 1 | 4.589; 4.849; 4.736 90; 98.6; 90 | 104.201 | Swamy, V.; Dubrovinsky, L. S.; Dubrovinskaia, N. A.; Langenhorst, F.; Simionovici, A. S.; Drakopoulos, M.; Dmitriev, V.; Weber, H. P. Size effects on the structure and phase transition behavior of baddeleyite TiO2 Solid State Communications, 2005, 134, 541-546 |
| 9015358 | CIF | Fe S4 Sb2 | P n a m | 10.9404; 13.3719; 3.6973 90; 90; 90 | 540.893 | 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 = 6.62 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
| 9015359 | CIF | Ag2.33 Bi3.67 Pb0.25 S8 Sb0.75 | C 1 2/m 1 | 13.515; 4.098; 26 90; 93; 90 | 1438.02 | Ilinca, G.; Makovicky, E. Note on the definition of borodayevite [Ag5(Fe,Pb)Bi7]13(Sb,Bi)2S17 Note: This structure is based on a theoretical construct, (4,8L) Neues Jahrbuch fur Mineralogie, Monatshefte, 1997, 1997, 337-353 |
| 9015362 | CIF | Bi27 Pb25 S62.39 Se3.61 | P 1 21/m 1 | 38.86; 4.09; 39.83 90; 102.3; 90 | 6185.16 | Topa, D.; Makovicky, E.; Dittrich, H. The crystal structure of 7H:12Q cannizzarite from Vulcano, Italy The Canadian Mineralogist, 2010, 48, 483-495 |
| 9015363 | CIF | Mg1.9 O4 Si | F d -3 m :2 | 8.0931; 8.0931; 8.0931 90; 90; 90 | 530.084 | 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 = 443 K American Mineralogist, 2012, 97, 573-582 |
| 9015364 | CIF | Ca3.841 F2.5 Fe0.402 Mn0.116 Na1.733 Nb0.461 O15.5 Si4 Ti0.539 Zr0.884 | P 1 21 1 | 10.80498; 10.25458; 7.28606 90; 109.117; 90 | 762.779 | Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N. Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea The Canadian Mineralogist, 2012, 50, 593-609 |
| 9015365 | CIF | Fe Ge2 Li O6 | P 1 21/c 1 | 9.765; 8.721; 5.301 90; 108.49; 90 | 428.133 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 4.16 GPa American Mineralogist, 2009, 94, 616-621 |
| 9015366 | CIF | Al1.609 Fe0.389 Mg O4 | F d -3 m :2 | 8.1472; 8.1472; 8.1472 90; 90; 90 | 540.786 | 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 = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015367 | CIF | As H3 O6 Zn2 | P 1 21/c 1 | 12.76; 7.93; 10.21 90; 104.4; 90 | 1000.66 | Pushcharovskii, D. Y.; Pobedimskaya, E. A.; Belov, N. V. The crystal structure of legrandite Zn2[AsO4]OH*H2O Soviet Physics - Doklady, 1971, 16, 419-421 |
| 9015368 | CIF | Al0.41 Ca1.5 Fe0.16 Mg0.39 Na0.5 O7 Si2 | P -4 21 m | 7.76; 7.76; 5.029 90; 90; 90 | 302.834 | Mokeeva, V.; Makarov, E. Isomorph in melilites: refining of crystal structure of akermanite and intermediate melilite Geokhimiya, 1979, 10, 1541-1544 |
| 9015369 | CIF | Al2 Co0.25 O4 Zn0.75 | F d -3 m :2 | 8.09014; 8.09014; 8.09014 90; 90; 90 | 529.503 | Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.025, Co content = 0.25 apfu American Mineralogist, 2012, 97, 1394-1401 |
| 9015371 | CIF | C Na1.947 O3 | C 1 2/m 1 | 8.8818; 5.235; 6.0455 90; 101.464; 90 | 275.485 | Arakcheeva, A.; Bindi, L.; Pattison, P.; Meisser, N.; Chapuis, G.; Pekov, I. The incommensurately modulated structures of natural natrite at 120 and 293 K from synchrotron X-ray data T = 293 K American Mineralogist, 2010, 95, 574-581 |
| 9015375 | CIF | Cl H | F m -3 m | 5.475; 5.475; 5.475 90; 90; 90 | 164.117 | Sandor, E.; Farrow, R. F. C. Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K Nature, 1967, 213, 171-172 |
| 9015379 | CIF | H0.88 K0.78 N0.22 O4 P | I -4 2 d | 7.4398; 7.4398; 7.0454 90; 90; 90 | 389.967 | Ono, Y.; Yamada, N.; Hikita, T. Structure refinements of the mixed crystal K0.78(NH4)0.22H2PO4 in the temperature range from 20 K to 250K Note: T = 20 K Journal of the Physical Society of Japan, 1991, 60, 2673-2677 |
| 9015383 | CIF | B Ca H O3 | P 1 21/m 1 | 6.6798; 5.4208; 3.5466 90; 93.245; 90 | 128.216 | Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X. Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 173 K The Canadian Mineralogist, 2011, 49, 823-834 |
| 9015384 | CIF | Al3.8 Be0.16 Fe0.3 H1.292 Li0.06 Mg1.66 Mn0.02 Na0.235 O18.646 Si5 | C c c m | 17.0046; 9.73133; 9.31989 90; 90; 90 | 1542.23 | Sokol, E. V.; Seryotkin, Y. V.; Bul'bak, T. A. Na-Li-Be-rich cordierite from the Murzinka pegmatite field, Middle Urals, Russia European Journal of Mineralogy, 2010, 22, 565-575 |
| 9015385 | CIF | Ca1.78 Fe1.72 H2 K0.08 Mg3.5 Na1.06 O24 Si8 | C 1 2/m 1 | 9.691; 17.831; 5.247 90; 105.92; 90 | 871.908 | 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: FR12 P = 3.74 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9015388 | CIF | Cu2.64 Mo0.04 O8 V1.94 Zn0.36 | P 1 21/c 1 | 6.2695; 8.0195; 6.362 90; 111.96; 90 | 296.662 | Zelenski, M. E.; Zubkova, N. V.; Pekov, I. V.; Boldyreva, M. M.; Pushcharovsky, D. Y.; Nekrasov, A. N. Pseudolyonsite, Cu3(VO4)2, a new mineral species from the Tolbachik volcano, Kamchatka Peninsula, Russia European Journal of Mineralogy, 2011, 23, 475-481 |
| 9015390 | CIF | C Ca O3 | R -3 c :H | 4.99029; 4.99029; 17.0687 90; 90; 120 | 368.114 | 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: March model Powder Diffraction, 2009, 24, 315-326 |
| 9015391 | CIF | Ba Cl0.23 Fe3 H0.77 O8.77 Si2 | C 1 2/m 1 | 20.3459; 7.0119; 5.3879 90; 94.874; 90 | 765.877 | Kampf, A. R.; Roberts, A. C.; Venance, K. E.; Dunning, G. E.; Walstrom, R. E. Ferroericssonite, the Fe2+ analogue of ericssonite, from eastern Fresno County, California, U.S.A. The Canadian Mineralogist, 2011, 49, 587-594 |
| 9015392 | CIF | O2 Si | P 1 21/c 1 | 7.894; 4.456; 8.582 90; 119.7; 90 | 262.22 | 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 = 7.4 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9015393 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.469; 11.469; 11.469 90; 90; 90 | 1508.61 | 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 = 423.3 K American Mineralogist, 2011, 96, 1593-1605 |
| 9015396 | CIF | Fe2 Mn3 O12 Si3 | I a -3 d | 11.8288; 11.8288; 11.8288 90; 90; 90 | 1655.09 | Ottonello, G.; Borketa, M.; Sciuto, P. F. Parameterization of energy and interactions in garnets: End-member properties American Mineralogist, 1996, 81, 429-447 |
| 9015398 | CIF | Bi2 Pb3 S6 | B b m m | 13.54; 20.637; 4.1103 90; 90; 90 | 1148.52 | 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 = 0.0001 GPa Note: occupancies not refined Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9015401 | CIF | Mo O3 | P b n m | 3.9624; 13.86; 3.6971 90; 90; 90 | 203.041 | 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: Generalized spherical-harmonic model Powder Diffraction, 2009, 24, 315-326 |
| 9015402 | CIF | Ba9 O112 Ti36.4 V19.6 | P 4/m | 10.126; 10.126; 41.41 90; 90; 90 | 4246.01 | Shi, N.; Ma, Z.; Liu, W. Crystal structure determination of ankangite with one dimensional incommensurate modulation Acta Petrologica et Mineralogica, 1991, 10, 233-245 |
| 9015403 | CIF | As S | P 1 21/n 1 | 8.876; 12.887; 6.272 90; 106.85; 90 | 686.622 | 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 = 2.82 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9015404 | CIF | Ca O3 Sn | P b n m | 5.532; 5.681; 7.906 90; 90; 90 | 248.464 | Vegas, A.; Vallet-Regi, M.; Gonzalez-Calbet, J. M.; Alario-Franco, M. A. The ASnO3 (A = Ca, Sr) perovskites Acta Crystallographica, Section B, 1986, 42, 167-172 |
| 9015406 | CIF | Fe | F m -3 m | 3.545; 3.545; 3.545 90; 90; 90 | 44.55 | 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 = 13.63 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015407 | CIF | Fe1.001 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7531; 4.7531; 9.2219 90; 90; 90 | 208.341 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim19_q2, treated at 750 C for 80 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015409 | CIF | Al8 H1.12 Na7.69 O48.56 Si16 | R 3 :H | 18.468; 18.468; 11.601 90; 90; 120 | 3426.62 | Likhachieva, A. Y.; Rashchenko, S. V.; Seryotkin, Y. V. The deformation mechanism of a pressure-induced phase transition in dehydrated analcime Note: dehydrated, P = 0.9 GPa Mineralogical Magazine, 2012, 76, 129-142 |
| 9015410 | CIF | Ag1.05 Bi7.64 Cu0.56 S11 | C 1 2/m 1 | 13.38; 4.0492; 18.69 90; 105.494; 90 | 975.793 | Makovicky, E.; Paar, W. H.; Putz, H.; Zagler, G. Dantopaite, Ag5Bi13S22, the 6P natural member of the pavonite homologous series, from Erzwies, Austria The Canadian Mineralogist, 2010, 48, 467-481 |
| 9015411 | CIF | Al2 Ca0.889 H4 O10 Si2 Sr0.111 | C m c m | 5.8439; 8.8112; 13.1618 90; 90; 90 | 677.724 | 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 #AU63 American Mineralogist, 2010, 95, 724-735 |
| 9015412 | CIF | H8 O13 P2 Zn3 | P b n m | 5.0266; 10.606; 18.2946 90; 90; 90 | 975.324 | Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wenger, G. The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Note: beta-hopeite Chemistry - A European Journal, 2004, 10, 2795-2803 |
| 9015413 | CIF | Fe1.74 H12 K2.92 Mg0.14 Mn1.36 Na2.44 O28 Si8 Ti0.76 | P -1 | 10.1978; 12.0155; 5.2263 103.439; 96.02; 91.683 | 618.46 | Khomyakov, A. P.; Camara, F.; Sokolova, E.; Abdu, Y.; Hawthorne, F. C. Paraershovite, Na3K3Fe3+2(Si4O10OH)2(OH)2(H2O)4, a new mineral species from the Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure The Canadian Mineralogist, 2010, 48, 279-290 |
| 9015414 | CIF | Hg I2 | P 42/n m c :2 | 4.3675; 4.3675; 12.47 90; 90; 90 | 237.866 | 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 = 293 K, single crystal X-ray data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9015415 | CIF | Al6.393 B3.102 Fe2.106 H3.65 Li0.09 Mg0.171 Mn0.081 Na0.49 O31 Si5.898 Zn0.159 | R 3 m :H | 15.972; 15.972; 7.16 90; 90; 120 | 1581.84 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Schorl CROSS Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9015417 | CIF | Al0.42 Ca0.04 Fe1.3 H2 K0.78 Mg0.58 O12 Si3.68 Ti0.02 | C 1 2/m 1 | 5.227; 9.053; 10.153 90; 100.53; 90 | 472.349 | Zhukhlistov, A. P. Crystal structure of celadonite from the electron diffraction data Crystallography Reports, 2005, 50, 902-906 |
| 9015419 | CIF | Ca0.45 Ce0.275 Dy0.006 F3 Gd0.033 La0.143 Na0.45 Nd0.099 Sm0.011 Y0.044 | P 63/m | 6.0861; 6.0861; 3.681 90; 90; 120 | 118.08 | Sciberras, M. J.; Leverett, P.; Williams, P. A.; Hibbs, D. E.; Roberts, A. C.; Grice, J. D. The single-crystal X-ray structure of gagarinite-(Ce) The Canadian Mineralogist, 2011, 49, 1111-1114 |
| 9015420 | CIF | Al2.99 Ca2.03 F1.26 Fe0.51 H0.74 K0.691 Mg3.64 Mn0.01 Na0.281 O22.74 Si5.8 Ti0.05 | C 1 2/m 1 | 9.9104; 17.9739; 5.3205 90; 105.534; 90 | 913.114 | Oberti, R.; Boiocchi, M.; Hawthorne, F. C.; Pagano, R.; Pagano, A. Fluoro-potassic-pargasite, KCa2(Mg4Al)(Si6Al2)O22F2, from the Tranomaro area, Madagascar: mineral description and crystal chemistry Mineralogical Magazine, 2010, 74, 961-967 |
| 9015421 | CIF | Ca3 O5 Si | P -1 | 11.67; 14.24; 13.72 105.3; 94.2; 90 | 2192.84 | Golovastikov, N.; Matveeva, R.; Belov, N. Crystal structure of tricalcium silicate, 3CaO*SiO2 = C3S Kristallografiya, 1975, 20, 721-729 |
| 9015423 | CIF | Al7.296 B3 Ca0.682 F0.669 Fe0.045 H3.33 Li1.626 Mn0.027 Na0.248 O30.33 Pb0.009 Si6 Ti0.003 | R 3 m :H | 15.8343; 15.8343; 7.1012 90; 90; 120 | 1541.91 | 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: L19, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015424 | CIF | Al Ca2 F9 Pb | P -1 | 5.3815; 5.3846; 12.2034 91.364; 101.11; 91.525 | 346.72 | Kampf, A. R.; Yang, H.; Downs, R. T.; Pinch, W. W. The crystal structures and Raman spectra of aravaipaite and calcioaravaipaite American Mineralogist, 2011, 96, 402-407 |
| 9015425 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9596; 7.9644; 5.7416 90; 90; 90 | 226.795 | 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 |
| 9015426 | CIF | Ca0.99 F Fe0.31 Mn0.33 Na1.25 Nb0.09 O8 Si2 Ti0.26 Zr0.73 | P 1 21/a 1 | 10.54; 9.9; 7.14 90; 108.2; 90 | 707.758 | Simonov, V. I.; Belov, N. V. Crystal structure of lavenite Doklady Akademii Nauk SSSR, 1960, 130, 1333-1336 |
| 9015427 | CIF | Al0.84 Ca2.88 Fe1.32 La0.09 Mg0.1 Mn0.03 Nb0.44 O12 Si0.75 Ti0.09 Zr1.46 | I a -3 d | 12.5512; 12.5512; 12.5512 90; 90; 90 | 1977.22 | Zaitsev, A. N.; Williams, C. T.; Britvin, S. N.; Kuznetsova, I. V.; Spratt, J.; Petrov, S. V.; Keller, J. Kerimasite, Ca3Zr2(Fe3+2Si)O12, a new garnet from carbonatites of Kerimasi volcano and surrounding explosion craters, northern Tanzania Mineralogical Magazine, 2010, 74, 803-820 |
| 9015429 | CIF | Al1.463 Fe0.537 Mg O4 | F d -3 m :2 | 8.1697; 8.1697; 8.1697 90; 90; 90 | 545.278 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, Untreated European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015431 | CIF | B F0.87 H2.13 Mg3 O5.13 | P 63/m | 9.06; 9.06; 3.06 90; 90; 120 | 217.525 | Takeuchi, Y. The structure of fluoborite Acta Crystallographica, 1950, 3, 208-210 |
| 9015432 | CIF | As O3 Sb | P 1 21/n 1 | 4.5757; 13.1288; 5.4216 90; 95.039; 90 | 324.435 | Origlieri, M. J.; Downs, R. T.; Carducci, M. D.; Rosso, K. M.; Gibbs, G. V. Crystal structure and bonding in the new mineral AsSbO3 General Meeting of the International Mineralogical Association, 2006, 19, 142-142 |
| 9015434 | CIF | Mg0.125 O1.872 Zr0.875 | 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 2, O displaced along [100] Acta Crystallographica, Section B, 1988, 44, 116-120 |
| 9015435 | CIF | C2 H2 Ba0.03 Ca0.15 Ce0.2 Dy0.03 Er0.01 Gd0.02 La0.1 Na0.4 Nd0.05 O7 Pr0.01 Sr0.73 Y0.26 Yb0.01 | P 1 | 8.983; 8.985; 6.78 116.25; 102.76; 60 | 425.041 | Tjy, C. T. L.; Pobedimskaya, E. A.; Nadezhina, T. N.; Khomyakov, A. P. Polymorphism of donnayite (Na,TR)Sr(CO3)2*H2O Moscow University Geology Bulletin, 1992, 47, 60-70 |
| 9015437 | CIF | Al8.435 Fe0.83 H O15 Sn Zn0.36 | P -3 m 1 | 5.717; 5.717; 13.8 90; 90; 120 | 390.612 | Arakcheeva, A. V.; Pushcharovskii, D. Y.; Rastsvetaeva, R. K.; Kashaev, A. A.; Nadezhina, T. N. Crystal structure of nigerite-6H Kristallografiya, 1995, 40, 639-644 |
| 9015438 | CIF | Ag0.014 Bi4 Cu0.132 Pb3.904 S10 | P n m a | 23.87; 4.0647; 19.13 90; 90; 90 | 1856.08 | Topa, D.; Makovicky, E. The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 1 The Canadian Mineralogist, 2010, 48, 1081-1107 |
| 9015441 | CIF | N O6 P V | P b c a | 6.8064; 9.2567; 17.732 90; 90; 90 | 1117.2 | Amoros, P.; Beltran-Porter D; Le Bail, A.; Ferey, G.; Villeneuve, G. Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved from X-ray powder diffraction _cod_database_code 1000080 European Journal of Solid State and Inorganic Chemistry, 1988, 25, 599-607 |
| 9015442 | CIF | Cr2 O3 | R -3 c :H | 4.674; 4.674; 12.941 90; 90; 120 | 244.836 | 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 = 55.1 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9015443 | CIF | Al0.474 Ca3 Fe1.746 Hf0.016 Nb0.038 O12 Sc0.018 Si0.51 Sn0.192 Ti0.426 U0.212 Zr1.356 | I a -3 d | 12.5965; 12.5965; 12.5965 90; 90; 90 | 1998.71 | Galuskina, I. O.; Galuskin, E. V.; Armbruster, T.; Lazic, B.; Kusz, J.; Dzierzanowski, P.; Gazeev, V. M.; Pertsev, N. N.; Prusik, K.; Zadov, A. E.; Winiarski, A.; Wrzalik, R.; Gurbanov, A. G. Elbrusite-(Zr) - A new uranian garnet from the Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia American Mineralogist, 2010, 95, 1172-1181 |
| 9015445 | CIF | Fe | F m -3 m | 3.557; 3.557; 3.557 90; 90; 90 | 45.004 | 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 = 11.66 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015447 | CIF | Li P | P 1 21/c 1 | 5.582; 4.94; 10.255 90; 118.15; 90 | 249.334 | Honle, W.; Schnering, H. G. Zur Struktur von LiP und KSb Zeitschrift fur Kristallographie, 1981, 155, 307-314 |
| 9015448 | CIF | C Ca O3 | P m c n | 4.9635; 8.0024; 5.776 90; 90; 90 | 229.422 | 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 = 197 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015449 | CIF | Al1.61 Fe0.39 Mg1.002 O4 | F d -3 m :2 | 8.1479; 8.1479; 8.1479 90; 90; 90 | 540.925 | 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 = 30 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015450 | CIF | As0.54 H8 Mn6.72 O16 V1.46 | P 1 21/n 1 | 5.5038; 12.2665; 10.1055 90; 95.559; 90 | 679.038 | Brugger, J.; Elliott, P.; Meisser, N.; Ansermet, S. Argandite, Mn7(VO4)2(OH)8, the V analogue of allactite from the metamorphosed Mn ores at Pipji, Turtmann Valley, Switzerland American Mineralogist, 2011, 96, 1894-1900 |
| 9015452 | CIF | Al0.02 Ba3.92 Ca0.1 Fe0.18 Mg0.14 Mn0.38 Na2.16 Nb0.02 O26 P0.82 S1.02 Si4 Sr0.08 Ti2.96 | P -1 | 5.4234; 7.131; 14.785 98.442; 94.579; 90.009 | 563.757 | Sokolova, E.; Camara, F.; Hawthorne, F. C. From structure topology to chemical composition. XI. Titanium silicates: crystal structures of innelite-1T and innelite-2M from the Inagli massif, Yakutia, Russia, and the crystal chemistry of innelite Note: this is the polytype innelite-1T Mineralogical Magazine, 2011, 75, 2495-2518 |
| 9015453 | CIF | Ca2.92 Ce0.54 F2.76 Gd0.04 La0.24 Na2.9 Nb0.75 Nd0.18 O15.24 Pr0.06 Si4 Sm0.04 Sr0.04 Ta0.01 Ti0.24 Y0.04 | P 1 21/c 1 | 7.468; 5.689; 18.891 90; 101.37; 90 | 786.841 | Sokolova, E.; Hawthorne, F. C. From structure topology to chemical composition. V. Titanium silicates: The crystal chemistry of nacareniobsite-(Ce) The Canadian Mineralogist, 2008, 46, 1333-1342 |
| 9015454 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.496; 11.496; 11.496 90; 90; 90 | 1519.29 | 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 = 672.9 K American Mineralogist, 2011, 96, 1593-1605 |
| 9015455 | CIF | Ca0.105 Fe0.075 H4 K0.025 Mg0.035 Mn0.165 Na1.645 Nb0.255 O11 Si2 Ti1.605 Zr0.005 | P -1 | 5.3875; 7.0579; 12.176 93.511; 107.943; 90.093 | 439.538 | Camara, F.; Sokolova, E.; Hawthorne, F. C.; Abdu, Y. From structure topology to chemical composition. IX. Titanium silicates: revision of the crystal chemistry of lomonosovite and murmanite, Group-IV minerals Mineralogical Magazine, 2008, 72, 1207-1228 |
| 9015456 | CIF | Al8.217 B3.402 Ca0.023 Cl0.001 F0.161 Fe0.042 H3.832 Li0.63 Mn0.087 Na0.541 O30.838 Si5.454 | R 3 m :H | 15.792; 15.792; 7.0878 90; 90; 120 | 1530.79 | Schreyer, W.; Hughes, J. M.; Bernhardt, H. J.; Kalt, A.; Prowatke, S.; Ertl, A. Reexamination of olenite from the type locality: detection of boron in tetrahedral coordination Note: z-coordinate for AlY and y-coordinate for H were altered by Hughes, Aug 2003 European Journal of Mineralogy, 2002, 14, 935-942 |
| 9015460 | CIF | C Ca O3 | R -3 c :H | 4.9742; 4.9742; 17.4676 90; 90; 120 | 374.292 | 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 = 702 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015461 | CIF | As8 Ca4.362 F14 Fe2.032 Li1.42 Mg10.968 Na1.218 O24 | R -3 m :H | 10.2114; 10.2114; 25.689 90; 90; 120 | 2319.79 | Yang, Z.; Giester, G.; Ding, K.; Tillmanns, E. Crystal structure of nanlingite - the first mineral with a [Fe(AsO3)6] configuration European Journal of Mineralogy, 2011, 23, 63-71 |
| 9015462 | CIF | Ho O6 Ta Ti | P b c n | 14.6236; 5.5637; 5.203 90; 90; 90 | 423.323 | Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269 |
| 9015465 | CIF | As S | P 1 21/n 1 | 9.003; 12.919; 6.318 90; 106.87; 90 | 703.221 | 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 = 2.14 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 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 |
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