Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9015655 | CIF | Al1.9 Be3 Cr0.1 H2 O19 Si6 | P 6/m c c | 9.214; 9.214; 9.218 90; 90; 120 | 677.741 | Gibbs, G. V.; Breck, D. W.; Meagher, E. P. Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: hydrous emerald Lithos, 1968, 1, 275-285 |
| 9015658 | CIF | Mg2 O4 Si | P n m a | 10.20141; 5.98348; 4.75534 90; 90; 90 | 290.266 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1 Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9015659 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.0539; 5.4609; 9.8437 90; 90; 90 | 862.985 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 6.511 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9015660 | CIF | H8 Mo O10 U | P 1 21/c 1 | 6.32; 7.5; 57.8 90; 94; 90 | 2733.05 | Makarov, E. S.; Anikina, L. I. Crystal structure of umohoite (UMoO6(H2O)2)*2H2O Geochemistry, 1963, 1, 14-21 |
| 9015661 | CIF | O24 P6 S Sr10 | P -3 | 9.8077; 9.8077; 7.2089 90; 90; 120 | 600.529 | Henning, P. A.; Adolfsson, E.; Grins, J. The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se Zeitschrift fur Kristallographie, 2000, 215, 226-230 |
| 9015662 | CIF | O2 Ti | P 42/m n m | 4.5937; 4.5937; 2.9587 90; 90; 90 | 62.435 | Howard, C. J.; Sabine, T. M.; Dickson, F. Structural and thermal parameters for rutile and anatase Acta Crystallographica, Section B, 1991, 47, 462-468 |
| 9015664 | CIF | Al1.459 Fe0.537 Mg1.003 O4 | F d -3 m :2 | 8.1707; 8.1707; 8.1707 90; 90; 90 | 545.479 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 97,260 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015669 | CIF | Ca4.28 Ce0.9 F2.7 Na1.82 Nb0.05 O15.3 Si4 Ti0.86 Zr0.09 | P 1 21/c 1 | 7.421; 5.709; 19.019 90; 101.23; 90 | 790.34 | Bellezza, M.; Merlino, S.; Perchiazzi, N.; Raade, G. <<Johnstrupite>>: a chemical and structural study Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A, 2009, 114, 1-3 |
| 9015670 | CIF | Fe S4 Sb2 | P n a m | 11.1063; 13.6291; 3.7249 90; 90; 90 | 563.834 | Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 3.72 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
| 9015672 | CIF | Bi Mo2 O10 | P 1 21/m 1 | 5.7797; 11.567; 6.3344 90; 113.36; 90 | 388.767 | Orlandi, P.; Pasero, M.; Bigi, S. Sardignaite, a new mineral, the second known bismuth molybdate: description and crystal structure Mineralogy and Petrology, 2010, 100, 17-22 |
| 9015674 | CIF | Ba Na2 O14 Si4 Ti2 | I m a 2 | 10.4; 13.85; 8.1 90; 90; 90 | 1166.72 | Nikitin, A. V.; Belov, N. V. Crystal structure of batisite, Na2BaTi2Si4O14 = Na2BaTi2O2[Si4O12] Doklady Akademii Nauk SSSR, 1962, 146, 1401-1403 |
| 9015676 | CIF | As H O5 Zn2 | P -1 | 5.638; 5.827; 6.692 103.25; 104.37; 87.72 | 207.268 | Hawthorne, F. C. Paradamite Acta Crystallographica, Section B, 1979, 35, 720-722 |
| 9015677 | CIF | Ca0.32 Ce0.01 Dy0.03 Er0.03 F0.17 Fe0.01 Gd0.01 Ho0.01 Mn0.01 Na0.39 Nb0.02 Nd0.01 O4.83 Si Sn0.01 Ti0.94 Tm0.01 V0.01 Y0.15 Yb0.03 | C 1 2/c 1 | 6.5691; 8.6869; 7.0924 90; 114.127; 90 | 369.372 | Stepanov, A. V.; Bekenova, G. K.; Levin, V. L.; Hawthorne, F. C. Natrotitanite, ideally (Na0.5Y0.5)Ti(SiO4)O, a new mineral from the Verkhnee Espe deposit, Akjailyautas mountains, Eastern Kazakhstan district, Kazakhstan: description and crystal structure Mineralogical Magazine, 2012, 76, 37-44 |
| 9015678 | CIF | Al7.209 B3 Ca0.583 F0.647 Fe0.015 H3.353 Li1.491 Mg0.06 Mn0.033 Na0.345 O30.353 Pb0.006 Si6 Ti0.009 | R 3 m :H | 15.8449; 15.8449; 7.1053 90; 90; 120 | 1544.87 | Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L13, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015679 | CIF | H47.44 Mg Na4 O51.72 V10 | P -1 | 9.0453; 11.3337; 11.7372 105.223; 97.383; 100.79 | 1120.3 | Colombo, F.; Baggio, R.; Kampf, A. R. The crystal structure of the elusive huemulite The Canadian Mineralogist, 2011, 49, 849-864 |
| 9015680 | CIF | Al1.9 Be3 Cr0.1 O18 Si6 | P 6/m c c | 9.219; 9.219; 9.198 90; 90; 120 | 677.005 | Gibbs, G. V.; Breck, D. W.; Meagher, E. P. Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: anhydrous emerald Lithos, 1968, 1, 275-285 |
| 9015681 | CIF | Na1.86 Nb2 Nd0.05 O6 | P b c m | 5.5018; 5.5598; 15.551 90; 90; 90 | 475.688 | Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G. Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = .62, Nd.05Na1.86Nb2O6 Inorganic Materials, 2004, 40, 1324-1330 |
| 9015683 | CIF | Cu0.93 H6 O15 P2 U2 | P 1 21 1 | 14.4979; 7.0159; 6.6312 90; 107.585; 90 | 642.978 | Stubbs, J. E.; Post, J. E.; Elbert, D. C.; Heaney, P. J.; Veblen, D. R. Uranyl phosphate sheet reconstruction during dehydration of metatorbernite [Cu(UO2)2(PO4)2*8H2O] Note: This is the 6.9 Angstrom phase while heating at 173 C American Mineralogist, 2010, 95, 1132-1140 |
| 9015685 | CIF | C Fe O3 | R -3 c :H | 4.343; 4.343; 12.497 90; 90; 120 | 204.134 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P26, P = 55.96 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015687 | CIF | Fe | F m -3 m | 3.494; 3.494; 3.494 90; 90; 90 | 42.655 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 22.44 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015689 | CIF | Ca H8 O15 Si4 V | P c m n | 9.7518; 13.6854; 9.5965 90; 90; 90 | 1280.72 | Hughes, J. M.; Derr, R. S.; Cureton, F.; Campana, C. F.; Druschel, G. The crystal structure of cavansite: location of the H2O molecules and hydrogen atoms in Ca(VO)(Si4O10)*4H2O Note: T = 100 K The Canadian Mineralogist, 2011, 49, 1267-1272 |
| 9015690 | CIF | Ca4.974 Cl0.06 F0.76 H0.18 Na0.026 O12.18 P2.844 S0.066 Si0.09 | P 63/m | 9.3687; 9.3687; 6.8739 90; 90; 120 | 522.507 | Baikie, T.; Schreyer, M. K.; Wong, C. L.; Pramana, S. S.; Klooster, W. T.; Ferraris, C.; McIntyre, G. J.; White, T. J. A multi-domain gem-grade Brazilian apatite Note: single-crystal X-ray at T = 100 K American Mineralogist, 2012, 97, 1574-1581 |
| 9015691 | CIF | C Ca O3 | R -3 c :H | 4.9771; 4.9771; 17.3369 90; 90; 120 | 371.925 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 540 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015692 | CIF | Cr2 O3 | R -3 c :H | 4.714; 4.714; 13.029 90; 90; 120 | 250.738 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 44.8 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9015694 | CIF | Mn O2 | P 42/m n m | 4.388; 4.388; 2.865 90; 90; 120 | 47.774 | Kondrashev, Y. D.; Zaslavskii, A. I. The structure of the modifications of manganese oxide Izvestiya Akademii Nauk SSSR, 1951, 15, 179-186 |
| 9015698 | CIF | Al6.5 Ca5 Mg0.75 O17 Si0.75 | P m m n :2 | 27.638; 10.799; 5.123 90; 90; 90 | 1529.03 | Hanic, F.; Handlovic, M.; Kapralik, I. The structure of a quaternary phase Ca20Al32-2vMgvSivO68 Acta Crystallographica, Section B, 1980, 36, 2863-2869 |
| 9015700 | CIF | Ca2 O16 Ti2 Zr5 | P b c a | 15.207; 15.207; 10.114 90; 90; 90 | 2338.89 | Callegari, A.; Mazzi, F.; Ungaretti, P. The crystal structure of orthorhombic calzirtite from Val Malenco (Italy) Note: crystal n.2 Neues Jahrbuch fur Mineralogie, Monatshefte, 1997, 1997, 467-480 |
| 9015702 | CIF | Cl Tl | P m -3 m | 3.901; 3.901; 3.901 90; 90; 90 | 59.365 | Roberts, A. C.; Venance, K. E.; Seward, T. M.; Grice, J. D.; Paar, W. H. Lafossaite, a new mineral from the La Fossa Crater, Vulcano, Italy The Mineralogical Record, 2006, 37, 165-168 |
| 9015703 | CIF | B10 Cl2 H2 O19 Pb4 | P n n 2 | 11.376; 11.505; 6.5568 90; 90; 90 | 858.16 | Brugger, J.; Meisser, N.; Ansermat, S.; Krivovichev, S. V.; Kahlenberg, V.; Belton, D.; Ryan, C. G. Leucostaurite, Pb2[B5O9]Cl*0.5H2O, from the Atacama Desert: The first Pb-dominant member of the hilgardite group, and micro-determination of boron minerals by PIGE American Mineralogist, 2012, 97, 1206-1212 |
| 9015705 | CIF | Al1.611 Fe0.388 Mg O4 | F d -3 m :2 | 8.1457; 8.1457; 8.1457 90; 90; 90 | 540.487 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 11,100 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015706 | CIF | C0.39 Al0.3 Ca3 O25 S1.57 Si0.7 | P 63 | 11.1178; 11.1178; 10.5381 90; 90; 120 | 1128.06 | Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B. The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample G-3049, powder Mineralogical Magazine, 2012, 76, 1133-1152 |
| 9015709 | CIF | Al1.46 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.1693; 8.1693; 8.1693 90; 90; 90 | 545.198 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 22,620 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015710 | CIF | Al2.08 Ca2 Fe0.39 H Mn0.53 O13 Si3 | P 1 21/m 1 | 8.8904; 5.6606; 10.176 90; 115.455; 90 | 462.393 | Nagashima, M.; Akasada, M. X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.5, run 21 American Mineralogist, 2010, 95, 1237-1246 |
| 9015711 | CIF | As S | P 1 21/n 1 | 9.3272; 13.566; 6.5903 90; 106.433; 90 | 799.826 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 0 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9015712 | CIF | Al7.14 B3 Ca0.61 F0.633 Fe0.12 H3.336 Li1.614 Mg0.057 Mn0.06 Na0.322 O30.336 Pb0.007 Si6 Ti0.006 | R 3 m :H | 15.8438; 15.8438; 7.1043 90; 90; 120 | 1544.44 | Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L25, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015713 | CIF | Cl2 Fe | R -3 m :H | 3.58; 3.58; 17.54 90; 90; 120 | 194.682 | Herpin, A.; Meriel, P. Etude par diffraction de neutrons a 4.2 K de la structure antiferromagnetique de Cl2Fe Note: T = 4.2 K Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1957, 245, 650-653 |
| 9015714 | CIF | Cu O | C 1 2/c 1 | 4.6791; 3.4805; 5.1183 90; 98.5981; 90 | 82.418 | Calos, N. J.; Forrester, J. S.; Schaffer, G. B. A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 36 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9015715 | CIF | Ba O3 Ti | A m m 2 | 4.0094; 5.6214; 5.6386 90; 90; 90 | 127.085 | Xiao, C. J.; Jin, C. Q.; Wang, X. H. Crystal structure of dense nanocrystalline BaTiO3 ceramics Note: phase O (orthorhombic) Materials Chemistry and Physics, 2008, 111, 209-212 |
| 9015716 | CIF | Al1.461 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.1685; 8.1685; 8.1685 90; 90; 90 | 545.038 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 2460 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015717 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9541; 7.9494; 5.7186 90; 90; 90 | 225.211 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 184 K American Mineralogist, 2012, 97, 707-712 |
| 9015720 | CIF | Ca2 Fe2 O5 | P n m a | 5.3522; 14.5621; 5.5354 90; 90; 90 | 431.425 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 5.564 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9015721 | CIF | Cu3 H6 O11 V2 | I 1 a 1 | 10.646; 5.867; 14.432 90; 95.19; 90 | 897.728 | Kashaev, A. A.; Rozhdestvenskaya, I. V.; Bannova, I. I.; Sapozhnikov, A. N.; Glebova, O. D. Balance, uniformity, and asymmetry of the structure of volborthite Cu3(OH)2(V2O7)*2H2O Journal of Structural Chemistry, 2008, 49, 708-711 |
| 9015722 | CIF | Al Ca0.84 F2 Fe10.52 K0.83 Mg3.48 Na3.106 O48 P11.74 Pb0.17 Sr0.16 | C 1 2/c 1 | 16.459; 10.018; 24.597 90; 105.78; 90 | 3902.86 | Steele, I. M. Arrojadite: variations in space group and composition based on four new refinements Sample: arro135C General Meeting of the International Mineralogical Association, 2002, 18, MO2-117 |
| 9015723 | CIF | Hg I2 | P 42/n m c :2 | 4.36; 4.36; 12.337 90; 90; 90 | 234.521 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 100 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9015724 | CIF | Fe0.5 Ni0.5 Sb3 | I m -3 | 9.0904; 9.0904; 9.0904 90; 90; 90 | 751.189 | Kjekshus, A.; Rakke, T. Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides, Acta Chemica Scandinavica A, 1974, 28, 99-103 |
| 9015730 | CIF | Ag16 As4 Fe0.526 Hg0.474 S15 | C 1 2 1 | 26.011; 15.048; 15.513 90; 90.4; 90 | 6071.85 | Bindi, L.; Downs, R. T.; Spry, P. G.; Pinch, W. W.; Menchetti, S. A chemical and structural re-examination of fettelite samples from the type locality, Odenwald, southwest Germany Sample: R100124 Mineralogical Magazine, 2012, 76, 551-566 |
| 9015731 | CIF | Al0.55 Ca2 Fe1.45 O5 | I 2 m b | 5.303; 14.3778; 5.529 90; 90; 90 | 421.561 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 6.27 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9015732 | CIF | Al0.05 Ca2 Fe1.703 H Mg0.187 Mn0.06 O15 Si5 | P -1 | 7.458; 12.168; 6.675 86.12; 93.86; 112.27 | 558.71 | Armbruster, T. Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val Calanca, Grisons, Switzerland Schweizerische Mineralogische und Petrographische Mitteilungen, 2000, 80, 279-284 |
| 9015733 | CIF | Ni Ti0.921 | P 1 1 21/m | 2.92617; 4.17272; 4.69631 90; 90; 97.4036 | 56.864 | Sitepu, H. Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy Powder Diffraction, 2007, 22, 209-218 |
| 9015735 | CIF | C O6 Pb2 S2 | P n m a | 16.32; 8.7616; 4.5809 90; 90; 90 | 655.02 | Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F. Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-01 Mineralogical Magazine, 2011, 75, 2721-2732 |
| 9015736 | CIF | Os S2 | P a -3 | 5.64; 5.64; 5.64 90; 90; 90 | 179.406 | Oftedal, I. Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299 |
| 9015737 | CIF | Ba0.492 Cu O10 Si4 Sr0.508 | P 4/n c c :2 | 7.38813; 7.38813; 15.8516 90; 90; 90 | 865.251 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .492 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015747 | CIF | Fe2 H2 O17 P4 Pb3 | P 41 21 2 | 9.044; 9.044; 16.766 90; 90; 90 | 1371.36 | Mills, S. J.; Kolitsch, U.; Miyawaki, R.; Hatert, F.; Poirier, G.; Kampf, A. R.; Matsubara, S.; Tillmanns, E. Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure with double-strand chains T = 220 C European Journal of Mineralogy, 2010, 22, 595-604 |
| 9015750 | CIF | Ba0.1 Ca Fe0.05 H12.11 K0.5 Mn0.05 Na1.6 Nb1.2 O32.87 Si8 Sr1.4 Ti2.8 Zn0.9 | C 1 m 1 | 14.491; 13.911; 7.822 90; 117.59; 90 | 1397.49 | Rozenberg, K. A.; Rastsvetaeva, R. K.; Pekov, I. V.; Chukanov, N. V. New Zn-rich representative of the labuntsovite group: crystal structure and microtwinning Note: x-coordinate of O15 was changed Doklady Chemistry, 2002, 383, 110-113 |
| 9015752 | CIF | Fe | F m -3 m | 3.509; 3.509; 3.509 90; 90; 90 | 43.207 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 19.70 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015753 | CIF | Al Ca Fe9.38 H2 K0.75 Li0.12 Mg0.5 Mn4 Na4.11 O50 P12 | C 1 2/c 1 | 16.526; 10.057; 24.73 90; 105.78; 90 | 3955.27 | Merlino, S.; Mellini, M.; Zanazzi, P. F. Structure of arrojadite, KNa4CaMn4Fe10Al(PO4)12(OH,F)2 Acta Crystallographica, Section B, 1981, 37, 1733-1736 |
| 9015755 | CIF | Ca5 Cl O10.5 Si3 | C m c m | 3.7617; 16.9385; 17.3196 90; 90; 90 | 1103.56 | Galuskin, E. V.; Galuskina, I. O.; Lazic, B.; Armbruster, T.; Zadov, A. E.; Krzykawski, T.; Banasik, K.; Gazeev, V. M.; Pertsev, N. N. Rusinovite, Ca10(Si2O7)3Cl2: a new skarn mineral from the Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia European Journal of Mineralogy, 2011, 23, 837-844 |
| 9015756 | CIF | Al2 Cu0.78 Mg0.22 O4 | F d -3 m :2 | 8.0841; 8.0841; 8.0841 90; 90; 90 | 528.318 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl95b American Mineralogist, 2012, 97, 1821-1827 |
| 9015758 | CIF | Al7.272 B3 Ca0.614 F0.633 Fe0.156 H3.366 Li1.482 Mg0.018 Mn0.057 Na0.311 O30.366 Pb0.006 Si6 Ti0.018 | R 3 m :H | 15.8333; 15.8333; 7.1025 90; 90; 120 | 1542 | Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L27, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015759 | CIF | Al1.61 Fe0.39 Mg O4 | F d -3 m :2 | 8.146; 8.146; 8.146 90; 90; 90 | 540.547 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 93 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015761 | CIF | C Ca O3 | R -3 c :H | 4.9764; 4.9764; 17.3886 90; 90; 120 | 372.929 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 620 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015762 | CIF | Ba9.5 Ca3.5 Cl4 H12 O36 Si8 Ti | P 4/m m m | 14; 14; 5.625 90; 90; 90 | 1102.5 | Malinovskii, Y. A.; Pobedimskaya, E. A.; Belov, N. V. Crystal structure of muirite Ba9(Ca,Ba)(Ca,Ti)4(OH)8[Si8O24](Cl,OH)8 Soviet Physics Doklady, 1975, 20, 163-164 |
| 9015763 | CIF | As Ni Rh | P 4/n m m :2 | 3.5498; 3.5498; 6.1573 90; 90; 90 | 77.589 | Vymazalova, A.; Laufek, F.; Drabek, M.; Stanley, C. J.; Baker, R. J.; Bermejo, R.; Garuti, G.; Thalhammer, O.; Proenza, J. A.; Longo, F. Zaccariniite, RhNiAs, a new platinum-group mineral from Loma Peguera, Dominican Republic The Canadian Mineralogist, 2012, 50, 1321-1329 |
| 9015764 | CIF | Ca O13.014 Si4 V | P n m a | 9.4746; 13.262; 9.605 90; 90; 90 | 1206.89 | Danisi, R. M.; Armbruster, T.; Lazic, B. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 175 C American Mineralogist, 2012, 97, 1874-1880 |
| 9015765 | CIF | Fe5 Si3 | P 63/m c m | 6.6193; 6.6193; 4.621 90; 90; 120 | 175.344 | Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A. Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 18.7 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9015766 | CIF | As2 Eu Fe2 | I 4/m m m | 3.9062; 3.9062; 12.1247 90; 90; 90 | 185.004 | Tegel, M.; Rotter, M.; Weiss, V.; Schappacher, F. M.; Pottgen, R.; Johrendt, D. Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2 Note: T = 297 K Journal of Physics: Condensed Matter, 2008, 20, 452201_1-452201_5 |
| 9015767 | CIF | Cl2 Fe | P -3 m 1 | 3.585; 3.585; 5.735 90; 90; 120 | 63.833 | Vettier, C.; Yelon, W. B. The structure of FeCl2 at high pressures Note: P = 5.97 kbar Journal of Physics and Chemistry of Solids, 1975, 36, 401-405 |
| 9015768 | CIF | Cl2 Cu H6 N2 | C m c m | 7.688; 10.645; 5.736 90; 90; 90 | 469.427 | Bojar, H. P.; Walter, F.; Baumgartner, J.; Farber, G. Ammineite, CuCl2(NH3)2, a new species containing an ammine complex: Mineral data and crystal structure Note: T = 100 K The Canadian Mineralogist, 2010, 48, 1359-1371 |
| 9015770 | CIF | Al7.23 B3 Ca0.06 F0.54 Fe0.42 H3.46 Li1.02 Mg0.06 Mn0.18 Na0.73 O30.46 Si6 | R 3 m :H | 15.856; 15.856; 7.1079 90; 90; 120 | 1547.6 | Diego Gatta, G.; Danisi, R. M.; Adamo, I.; Meven, M.; Diella, V. A single-crystal neutron and X-ray diffraction study of elbaite Note: neutron data Physics and Chemistry of Minerals, 2012, 39, 577-588 |
| 9015771 | CIF | Ca O3 Sn | P b n m | 5.4824; 5.6384; 7.8387 90; 90; 90 | 242.31 | Zhao, J.; Ross, N. L.; Angel, R. J. Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 2.61 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9015775 | CIF | Al2 Ca0.77 H4 O10 Si2 Sr0.23 | P 1 21/m 1 | 5.3025; 13.174; 5.8422 90; 123.72; 90 | 339.448 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU83 American Mineralogist, 2010, 95, 724-735 |
| 9015777 | CIF | Al2 Ca O8 Si2 | P 63/m c m | 5.1175; 5.1175; 14.7716 90; 90; 120 | 335.022 | Dimitrijevic, R.; Dondur, V.; Kremenovic, A. Thermally induced phase transformations of Ca-exchanged LTA and FAU zeolite frameworks: Rietveld refinement of the hexagonal CaAl2Si2O8 diphyllosilicate structure Zeolites, 1996, 16, 294-300 |
| 9015778 | CIF | Cr2 O3 | R -3 c :H | 4.9128; 4.9128; 13.4689 90; 90; 120 | 281.528 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 56.8 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9015779 | CIF | Al1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3 | I a -3 d | 11.5826; 11.5825; 11.5826 90; 90; 90 | 1553.87 | Nestola, F.; Merli, M.; Nimis, P.; Parisatto, M.; Kopylova, M.; De Stefano, A.; Longo, M.; Ziberna, L.; Manghnani, M. In situ analysis of garnet inclusion in diamond using single-crystal X-ray diffraction and X-ray micro-tomography Note: uncorrected for pressure inside the diamond European Journal of Mineralogy, 2012, 24, 599-606 |
| 9015780 | CIF | Ba Cr2 O11 P | P -1 | 9.333; 7.779; 7.526 106.28; 105.37; 94.14 | 499.356 | Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Existence d'un nouvel anion condense: Cr2PO10. Structures cristallines de deux phosphochromates de baryum: BaHCr2PO10*H2O et BaHCr2PO10*3H2O Acta Crystallographica, Section B, 1977, 33, 1431-1435 |
| 9015782 | CIF | Al1.461 Fe0.537 Mg1.001 O4 | F d -3 m :2 | 8.1705; 8.1705; 8.1705 90; 90; 90 | 545.439 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 67,020 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015783 | CIF | Cl Fe H12 O10 S | P 1 21/c 1 | 10.6776; 6.9148; 14.1193 90; 111.407; 90 | 970.558 | Jingliang, Z.; Li, J.; Wei, D. The crystal structure of xitieshanite Kexue Tongbao, 1988, 33, 502-505 |
| 9015784 | CIF | Al7.14 B3.06 Ca0.02 F0.41 H6.39 K0.01 Li0.54 Mn1.341 Na0.67 O30.59 Si5.94 Ti0.039 | R 3 m :H | 15.9461; 15.9461; 7.138 90; 90; 120 | 1571.87 | Bosi, F.; Skogby, H.; Agrosì G; Scandale, E. Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy Note: this dataset represents the standard tourmaline model American Mineralogist, 2012, 97, 989-994 |
| 9015786 | CIF | As2 Ca2 Cu H4 O10 | P 1 21/c 1 | 5.8618; 12.7854; 5.7025 90; 109.425; 90 | 403.049 | Yang, H.; Jenkins, R. A.; Downs, R. T.; Evans, S. H.; Tait, K. T. Rruffite, Ca2Cu(AsO4)2*2H2O, a new member of the roselite group, from Tierra Amarilla, Chile The Canadian Mineralogist, 2011, 49, 877-884 |
| 9015787 | CIF | Cr1.5 Cu S4 Sb0.5 | F d -3 m :2 | 9.993; 9.993; 9.993 90; 90; 90 | 997.901 | Warczewski, J.; Kusz, J.; Filimonov, D. S.; Kessler, Y. A.; Koroleva, L. I.; Mikheev, M. G.; Odintsov, A. G.; Aminov, T. G.; Busheva, E. V.; Shabunina, G. G. New antiferromagnetic semiconductor CuCr1.5Sb0.5S4 Journal of Magnetism and Magnetic Materials, 1997, 175, 299-303 |
| 9015789 | CIF | F2 Pb | F m -3 m | 5.9306; 5.9306; 5.9306 90; 90; 90 | 208.591 | Mills, S. J.; Kartashov, P. M.; Gamyanin, G. N.; Whitfield, P. S.; Kern, A.; Guerault, H.; Kampf, A. R.; Raudsepp, M. Fluorocronite, the natural analogue of beta-PbF2, from the Sakha Republic, Russian Federation European Journal of Mineralogy, 2011, 23, 695-700 |
| 9015790 | CIF | Be O | P 63 m c | 2.7002; 2.7002; 4.3851 90; 90; 120 | 27.689 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 543 K Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9015791 | CIF | O2 Si | P 41 21 2 | 4.908; 4.908; 6.784 90; 90; 90 | 163.416 | Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T. New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 0.6 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9015793 | CIF | H13.64 Mg4 O22.82 Si6 | P n c n | 13.395; 27.016; 5.2765 90; 90; 90 | 1909.46 | Giustetto, R.; Levy, D.; Wahyudi, O.; Ricchiardi, G.; Vitillo, J. G. Crystal structure refinement of a sepiolite/indigo Maya Blue pigment using molecular modelling and synchrotron diffraction European Journal of Mineralogy, 2011, 23, 449-466 |
| 9015794 | CIF | Mn3 Si | F m -3 m | 5.722; 5.722; 5.722 90; 90; 90 | 187.346 | Aronsson, B. A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2 Acta Chemica Scandinavica, 1960, 14, 1414-1418 |
| 9015795 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7516; 4.7516; 9.2258 90; 90; 90 | 208.297 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim19_q1, treated at 750 C for 40 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015796 | CIF | Al8.88 B5.22 H Na0.77 O31 Si3.78 | R 3 m :H | 15.5996; 15.5996; 7.0224 90; 90; 120 | 1479.94 | Marler, B.; Borowski, M.; Wodara, U.; Schreyer, W. Synthetic tourmaline (olenite) with excess boron replacing silicon in the tetrahedral site: II. Structure analysis Sample: 1 European Journal of Mineralogy, 2002, 14, 763-771 |
| 9015797 | CIF | As S | C 1 2/c 1 | 9.967; 9.355; 8.921 90; 102.52; 90 | 812.025 | Zoppi, M.; Pratesi, G. The dual behavior of the beta-As4S4 altered by light American Mineralogist, 2012, 97, 890-896 |
| 9015798 | CIF | C0.409 Al4 Ca1.352 Cl0.55 Fe0.012 K0.16 Na2.188 O25.388 S0.04 Si8 Sr0.016 | P 42/n :2 | 12.07899; 12.07899; 7.583467 90; 90; 90 | 1106.44 | Antao, S. M.; Hassan, I. Complete Al-Si order in scapolite Me37.5, ideally Ca3Na5[Al8Si16O48]Cl(CO3), and implications for antiphase domain boundaries (APBs) The Canadian Mineralogist, 2011, 49, 581-586 |
| 9015799 | CIF | Bi4 Cu0.73 Pb3.695 S10 | P n m a | 23.816; 4.0408; 19.057 90; 90; 90 | 1833.96 | Topa, D.; Makovicky, E. The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 4 The Canadian Mineralogist, 2010, 48, 1081-1107 |
| 9015800 | CIF | Al0.798 B3 Cr5.322 F0.46 H2.67 Mg2.073 Na O30.54 Si5.898 Ti0.039 V0.87 | R 3 m :H | 16.1121; 16.1121; 7.3701 90; 90; 120 | 1656.95 | Bosi, F.; Reznitskii, L.; Skogby, H. Oxy-chromium-dravite, NaCr3(Cr4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup American Mineralogist, 2012, 97, 2024-2030 |
| 9015801 | CIF | Cs H5 O12 Se U2 | P -1 | 8.6877; 8.7164; 8.9589 95.964; 99.155; 117.318 | 582.847 | Wylie, E. M.; Burns, P. C. Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 3 The Canadian Mineralogist, 2012, 50, 147-157 |
| 9015802 | CIF | B7 Cl Mg3 O13 | F -4 3 c | 12.1; 12.1; 12.1 90; 90; 90 | 1771.56 | Ito, T.; Morimoto, N.; Sadanaga, R. The crystal structure of boracite Note: high boracite Note: T = 300 C Acta Crystallographica, 1951, 4, 310-316 |
| 9015803 | CIF | Fe Ge2 Li O6 | C 1 2/c 1 | 9.5; 8.711; 5.127 90; 101.55; 90 | 415.691 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 4.83 GPa American Mineralogist, 2009, 94, 616-621 |
| 9015805 | CIF | Be O | P 63 m c | 2.6825; 2.6825; 4.3525 90; 90; 120 | 27.124 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 4.0 GPa Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9015806 | CIF | Al11 Fe0.783 H Mg4.217 O24 Ti | P 63 m c | 5.7105; 5.7105; 27.676 90; 90; 120 | 781.596 | Shimura, T.; Akai, J.; Lazic, B.; Armbruster, T.; Shimizu, M.; Kamei, A.; Tsukada, K.; Owada, M.; Yuhara, M. Magnesiohogbomite-2N4S: A new polysome from the central Sor Rondane Mountains, East Antarctica American Mineralogist, 2012, 97, 268-280 |
| 9015807 | CIF | Al2.25 Ca2 Cr0.31 Fe0.03 H2 Mg0.4 Mn0.01 O14 Si3 | C 1 2/m 1 | 19.105; 5.9021; 8.8143 90; 97.513; 90 | 985.365 | Hamada, M.; Akasaka, M.; Seto, S.; Makino, K. Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1028 American Mineralogist, 2010, 95, 1294-1304 |
| 9015808 | CIF | Ca H8 O15 Si4 V | P n m a | 9.6329; 13.6606; 9.7949 90; 90; 90 | 1288.92 | Danisi, R. M.; Armbruster, T.; Lazic, B. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: room temperature American Mineralogist, 2012, 97, 1874-1880 |
| 9015809 | CIF | Mg O3 Si | P b c a | 18.204; 8.81; 5.1731 90; 90; 90 | 829.648 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 0.22(3) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9015811 | CIF | Al6.81 As0.093 B O17.884 Sb0.023 Si2.884 | P n m a | 4.6971; 11.8149; 20.2267 90; 90; 90 | 1122.5 | Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D21 The Canadian Mineralogist, 2012, 50, 855-872 |
| 9015812 | CIF | La0.2 Nb2 O6 Sr0.8 | P n m a | 11.042; 7.644; 5.563 90; 90; 90 | 469.545 | Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M. Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd] Materials Research Bulletin, 1994, 29, 743-749 |
| 9015813 | CIF | Ni Ti | P 1 1 21/m | 2.8758; 4.12644; 4.6325 90; 90; 96.964 | 54.567 | Sitepu, H. Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Annealed Powder Diffraction, 2009, 24, 315-326 |
| 9015815 | CIF | Ca O3 Sn | P b n m | 5.43626; 5.60235; 7.77743 90; 90; 90 | 236.868 | Zhao, J.; Ross, N. L.; Angel, R. J. Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 6.73 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9015816 | CIF | Al0.02 Ba0.85 Ca0.15 Fe0.26 K0.72 Mg0.08 Mn0.04 Na1.26 Nb0.16 O14 Si4 Ti1.24 Zr0.02 | I m m a | 8.0884; 10.497; 13.9372 90; 90; 90 | 1183.32 | Uvarova, Y. A.; Sokolova, E.; Hawthorne, F. C.; Liferovich, R. P.; Mitchell, R. H.; Pekov, I. V.; Zadov, A. E. Noonkanbahite, BaKNaTi2(Si4O12)O2, a new mineral sepcies: description and crystal structure Mineralogical Magazine, 2010, 74, 441-450 |
| 9015817 | CIF | Al8.652 B3.252 Ca0.01 F0.04 Fe0.039 H4.85 Li0.33 Mn0.249 Na0.46 O30.96 Si5.472 Ti0.009 | R 3 m :H | 15.8031; 15.8031; 7.0877 90; 90; 120 | 1532.92 | Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T. Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT1 Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6 (Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04] Tourmaline American Mineralogist, 2005, 90, 481-487 |
| 9015819 | CIF | Ca O8 Ti Zr2.5 | I 41/a c d :2 | 15.189; 15.189; 10.111 90; 90; 90 | 2332.67 | Rastsvetaeva, R. K.; Pushcharovskii, D. Y.; Spiridonov, E. M.; Gekimyants, V. M. Crystal structure of ordered calzirtite Ca2Zr5Ti2O16 magnetite deposit, Russia Crystallography Reports, 1995, 40, 746-748 |
| 9015820 | CIF | S7 Sb4 Sn | P 1 21/m 1 | 11.331; 3.865; 13.94 90; 105.281; 90 | 588.909 | Topa, D.; Makovicky, E.; Schimper, H. J.; Stadler, A.; Basch, A.; Dittrich, H.; Amthauer, G. The crystal structure of SnSb4S7, a new member of the meneghinite homologous series The Canadian Mineralogist, 2010, 48, 1119-1126 |
| 9015822 | CIF | Cu O | C 1 2/c 1 | 4.6776; 3.4593; 5.1264 90; 98.9645; 90 | 81.938 | Calos, N. J.; Forrester, J. S.; Schaffer, G. B. A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 10 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9015824 | CIF | Na Nb0.8 O2.9 Ti0.2 | P b m a | 5.5303; 15.5677; 5.5072 90; 90; 90 | 474.137 | Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A. A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.2 Chemistry of Materials, 2003, 15, 1872-1878 |
| 9015826 | CIF | Al2.729 Ca1.95 Cr0.052 F0.06 Fe2.65 K0.54 Mg1.393 Mn0.03 Na0.47 O23.94 Si5.92 Ti0.226 | C 1 2/m 1 | 9.937; 18.108; 5.335 90; 105.3; 90 | 925.952 | Banno, Y.; Miyawaki, R.; Matsubara, S.; Sato, E.; Nakai, I.; Matsuo, G.; Yamada, S. Potassic-ferropargasite, a new member of the amphibole group, from Kabutoichiba, Mie Prefecture, central Japan Journal of Mineralogical and Petrological Sciences, 2009, 104, 374-382 |
| 9015827 | CIF | Al8.16 B3 F0.1 H3.83 Li0.84 Na0.43 O30.9 Si6 | R 3 m :H | 15.77; 15.77; 7.085 90; 90; 120 | 1525.93 | Selway, J. B.; Novak, M.; Hawthorne, F. C.; Cerny, P.; Ottolini, L.; Kyser, T. K. Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline: Description and crystal structure American Mineralogist, 1998, 83, 896-900 |
| 9015828 | CIF | C Fe O3 | R -3 c :H | 4.518; 4.518; 13.457 90; 90; 120 | 237.887 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P13-2, P = 39.0 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015830 | CIF | Al1.84 Ca0.93 Fe0.16 H18 Mg0.04 Mn2.96 O26 P4 Zn0.07 | P 1 2/a 1 | 15.02; 6.959; 10.137 90; 111.74; 90 | 984.199 | Yakovenchuk, V. N.; Keck, E.; Krivovichev, S. V.; Pakhomovsky, Y. A.; Selivanova, E. A.; Mikhailova, J. A.; Chernyatieva, A. P.; Ivanyuk, G. Y. Whiteite-(CaMnMn), CaMnMn2Al2[PO4]4(OH)2*8H2O, a new mineral from the Hagendorf-Sud granitic pegmatite, Germany Mineralogical Magazine, 2012, 76, 2761-2771 |
| 9015831 | CIF | Fe6 H12 K0.371 O34 Pb0.677 S4 | R -3 m :H | 7.3185; 7.3185; 33.7274 90; 90; 120 | 1564.44 | Basciano, L. C.; Peterson, R. C. A crystallographic study of the incomplete solid-solution between plumbojarosite and jarosite Note Sample G The Canadian Mineralogist, 2010, 48, 651-659 |
| 9015834 | CIF | Al0.08 As1.482 Fe2.81 H10 O14 P0.526 | P 1 21/c 1 | 10.2; 9.718; 5.5432 90; 94.05; 90 | 548.09 | Kolitsch, U.; Atencio, D.; Chukanov, N. V.; Zubkova, N. V.; Menezes, L. A. D.; Coutinho, J. M. V.; Birch, W. D.; Schluter, J.; Pohl, D.; Kampf, A. R.; Steele, I. M.; Favreau, G.; Nasdala, L.; Mockel, S.; Giester, G.; Pushcharovsky, D. Y. Bendadaite, a new iron arsenate mineral of the arthurite group Mineralogical Magazine, 2010, 74, 469-486 |
| 9015835 | CIF | C Ca O3 | R -3 c :H | 4.974; 4.974; 17.261 90; 90; 120 | 369.835 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 398 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015837 | CIF | Ca3.5 Na4.5 O18 Si6 | P 32 | 10.464; 10.464; 13.176 90; 90; 120 | 1249.42 | Fischer, R. X.; Tillmanns, E. Die Kristallstrukturen von naturlichem Na2Ca2Si3O9 vom Mt.Shaheru (Zaire) und aus dem Mayener Feld (Eifel) Note: this is the low-temperature form of combeite Neues Jahrbuch fur Mineralogie, Monatshefte, 1983, 1983, 49-59 |
| 9015839 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7526; 4.7526; 9.2501 90; 90; 90 | 208.934 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim14_q1, treated at 600 C for 20 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015840 | CIF | Cu1.84 S | F m -3 m | 5.564; 5.564; 5.564 90; 90; 90 | 172.251 | Yamamoto, K.; Kashida, S. X-ray study of the average structures of Cu2Se and Cu1.8S in the room temperature and the high temperature phases Note: Sample: Cu1.8S (low), T = 300 K Journal of Solid State Chemistry, 1991, 93, 202-211 |
| 9015841 | CIF | Cu O | C 1 2/c 1 | 4.6844; 3.4792; 5.1215 90; 98.6836; 90 | 82.513 | Calos, N. J.; Forrester, J. S.; Schaffer, G. B. A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 32 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9015842 | CIF | Fe S2 | P a -3 | 5.414; 5.414; 5.414 90; 90; 90 | 158.692 | Oftedal, I. Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299 |
| 9015843 | CIF | Al Fe H18 O21 S3 | P -3 1 c | 10.7065; 10.7065; 17.3077 90; 90; 120 | 1718.17 | Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I. Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals Note: sample vulc2 The Canadian Mineralogist, 2010, 48, 323-333 |
| 9015844 | CIF | Cu H16 O20 P2 U2 | P 4/n :2 | 6.96519; 6.96519; 17.3102 90; 90; 90 | 839.785 | Stubbs, J. E.; Post, J. E.; Elbert, D. C.; Heaney, P. J.; Veblen, D. R. Uranyl phosphate sheet reconstruction during dehydration of metatorbernite [Cu(UO2)2(PO4)2*8H2O] Note: This is the 8.7 Angstrom phase while heating at 31.5 C American Mineralogist, 2010, 95, 1132-1140 |
| 9015845 | CIF | Al1.46 Fe0.537 Mg1.001 O4 | F d -3 m :2 | 8.1703; 8.1703; 8.1703 90; 90; 90 | 545.399 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015847 | CIF | Fe Ge2 Li O6 | P 1 21/c 1 | 9.801; 8.769; 5.331 90; 108.66; 90 | 434.088 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 2.54 GPa American Mineralogist, 2009, 94, 616-621 |
| 9015848 | CIF | Al7.239 B3 Ca0.683 F0.639 Fe0.063 H3.36 Li1.632 Mg0.027 Mn0.036 Na0.247 O30.36 Pb0.006 Si6 Ti0.003 | R 3 m :H | 15.8306; 15.8306; 7.0999 90; 90; 120 | 1540.91 | 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: L22, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015849 | CIF | Mn2 O4 Si | P n m a | 10.60016; 6.25753; 4.90338 90; 90; 90 | 325.245 | 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 |
| 9015850 | CIF | Al7.14 B3 Ca0.61 F0.633 Fe0.12 H3.337 Li1.614 Mg0.057 Mn0.06 Na0.322 O30.337 Pb0.007 Si6 Ti0.006 | R 3 m :H | 15.8438; 15.8438; 7.1043 90; 90; 120 | 1544.44 | Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L25, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015851 | CIF | C Ca O3 | P m c n | 4.975; 8.0446; 5.8329 90; 90; 90 | 233.444 | 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 = 434 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015852 | CIF | Ag As1.89 Mn1.76 Pb2.12 S12 Sb3.23 | 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 I American Mineralogist, 2012, 97, 440-446 |
| 9015853 | CIF | Cu O10 Si4 Sr | P 4/n c c :2 | 7.36657; 7.36657; 15.5844 90; 90; 90 | 845.709 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 0.000 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015854 | CIF | As2 Fe3 H27.12 Mo8 Na3.52 O50.56 | P n m b | 14.8866; 11.088; 15.056 90; 90; 90 | 2485.18 | Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Dini, M.; Birch, W. D.; Spratt, J.; Pluth, J. J.; Steele, I. M.; Jenkins, R. A.; Pinch, W. W. The heteropolymolybdate family: structural relations, nomenclature scheme and new species Mineralogical Magazine, 2012, 76, 1175-1207 |
| 9015857 | CIF | Fe0.765 H1.59 K Mg2.235 O12 Si4 | C 1 2/m 1 | 5.3416; 9.2411; 10.2332 90; 99.983; 90 | 497.486 | 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 LC6_R7 Physics and Chemistry of Minerals, 2008, 35, 163-174 |
| 9015858 | CIF | Mg2 O4 Si | I m m a | 5.7016; 11.4427; 8.2491 90; 90; 90 | 538.185 | Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J. High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 297 K American Mineralogist, 2012, 97, 1582-1590 |
| 9015859 | CIF | Al1.898 Ca1.93 Fe0.05 H2 K0.06 Mg4.24 Mn0.57 Na1.8 O24 Pb0.134 Si6.372 | C 1 2/m 1 | 9.9448; 18.0171; 5.2829 90; 105.445; 90 | 912.387 | Halenius, U.; Bosi, F. Cation ordering in Pb2±bearing, Mn3±rich pargasite from Langban, Sweden American Mineralogist, 2012, 97, 1635-1640 |
| 9015861 | CIF | Al1.33 Ba0.05 F0.17 Fe0.807 H1.553 K0.83 Mg2.193 Na0.07 O11.83 Si2.67 | C 1 2/m 1 | 5.3403; 9.2481; 10.2327 90; 100.017; 90 | 497.665 | Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F. Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_14n American Mineralogist, 2010, 95, 1458-1466 |
| 9015862 | CIF | Al0.37 Ca2 Fe1.63 O5 | P n m a | 5.4042; 14.6835; 5.5947 90; 90; 90 | 443.954 | 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 = 0.0001 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9015863 | CIF | Pd Sb2 | P a -3 | 6.4584; 6.4584; 6.4584 90; 90; 90 | 269.386 | Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741 |
| 9015866 | CIF | Al3.6 H20.04 K3.02 Na0.44 O34.02 Si8.4 | R -3 m :R | 9.442; 9.442; 9.442 94.29; 94.29; 94.29 | 834.316 | Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F. Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: K-exchanged Zeolites, 1982, 2, 303-309 |
| 9015868 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8355; 7.6085; 9.6326 90; 90.159; 90 | 354.391 | 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 = 280 K American Mineralogist, 2010, 95, 1413-1421 |
| 9015869 | CIF | Cr0.5 H12 O21.5 Pb5 Te3 | C 2 2 21 | 9.6646; 19.4962; 10.5101 90; 90; 90 | 1980.34 | 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 |
| 9015870 | CIF | Cu2 O7 V2 | P 1 | 7.8468; 5.6213; 10.18 103.61; 109.71; 45.74 | 302.746 | Yashima, M.; Suzuki, R. O. Electronic structure and magnetic properties of monoclinic beta-Cu2V2O7: A GGA+U study Note: theoretical study, in a triclinic setting Physical Review B, 2009, 79, 125201-125206 |
| 9015871 | CIF | B H O2 | P 1 21/a 1 | 7.122; 8.842; 6.771 90; 93.26; 90 | 425.698 | Zachariasen, W. H. The crystal structure of monoclinic metaboric acid Acta Crystallographica, 1963, 16, 385-389 |
| 9015875 | CIF | C0.704 H2 Al2.28 Na3.702 O15.112 Si3.72 | P 63 m c | 12.584; 12.584; 5.101 90; 90; 120 | 699.557 | 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# u1631 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9015879 | CIF | Al1.36 Ba0.03 F0.16 Fe0.806 H1.35 K0.89 Mg2.194 Na0.08 O11.84 Si2.64 | C 1 2/m 1 | 5.32568; 9.2207; 10.2093 90; 100.014; 90 | 493.705 | Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F. Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_18n American Mineralogist, 2010, 95, 1458-1466 |
| 9015880 | CIF | Fe3 H14 O16 P2 | P -1 | 7.989; 9.321; 4.629 97.34; 95.96; 108.59 | 320.184 | Chukanov, N. V.; Scholz, R.; Aksenov, S. M.; Rastsvetaeva, R. K.; Pekov, I. V.; Belakovskiy, D. I.; Krambrock, K.; Paniago, R. M.; Righi, A.; Martins, R. F.; Belotti, F. M.; Bermanec, V. Metavivianite, Fe2+Fe3+2(PO4)2(OH)2*6H2O: new data and formula revision Mineralogical Magazine, 2012, 76, 725-741 |
| 9015882 | CIF | Al2.15 Ca2 Fe0.12 H Mn0.73 O13 Si3 | P 1 21/m 1 | 8.8727; 5.6686; 10.1682 90; 115.48; 90 | 461.675 | 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=0.25, run 30 American Mineralogist, 2010, 95, 1237-1246 |
| 9015884 | CIF | Al0.08 Ca2 Fe1.513 H Mg0.197 Mn0.21 O15 Si5 | P -1 | 7.469; 12.161; 6.675 86.09; 93.94; 112.21 | 559.398 | Armbruster, T. Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val Calanca, Grisons, Switzerland Note: Sample Arvigo 1, NMBE 34973 Schweizerische Mineralogische und Petrographische Mitteilungen, 2000, 80, 279-284 |
| 9015885 | CIF | C Fe O3 | R -3 c :H | 4.348; 4.348; 12.52 90; 90; 120 | 204.981 | 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 P27-3, P = 55.0 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015886 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9723; 7.9983; 5.7931 90; 90; 90 | 230.391 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 527 K American Mineralogist, 2012, 97, 707-712 |
| 9015887 | CIF | Cu O | C 1 2/c 1 | 4.6839; 3.4734; 5.1226 90; 98.73; 90 | 82.374 | 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 = 25 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9015889 | CIF | Ca Cl2 H8 O4 | P -1 | 6.5932; 6.3673; 8.5606 97.83; 93.5; 110.58 | 331.003 | Leclaire, A.; Borel, M. M. Liaisons hydrogene et coordination du calcium dans les cristaux de CaCl2*4H2O alpha Acta Crystallographica, Section B, 1979, 35, 585-588 |
| 9015890 | CIF | Al7.188 B3 Ca0.628 F0.702 Fe0.021 H5.97 Li1.584 Mn0.207 Na0.297 O32.97 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, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015893 | CIF | C Ca O3 | P m c n | 4.9566; 7.9808; 5.7464 90; 90; 90 | 227.314 | 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 = 50 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015895 | CIF | Ca6 H2 O13 Si3 | P -1 | 6.8155; 6.9363; 12.8904 90.652; 97.659; 98.195 | 597.495 | 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-free dellaite Mineralogical Magazine, 2011, 75, 379-394 |
| 9015897 | CIF | La0.924 Nb1.228 O6 Ti0.772 | P n m a | 10.96305; 7.58996; 5.46833 90; 90; 90 | 455.015 | Golobic, A.; Skapin, S. D.; Suvorov, D.; Meden, A. Solving Structural Problems of Ceramic Materials Croatica Chemica Acta, 2004, 77, 435-446 |
| 9015898 | CIF | C Ca O3 | P 63/m m c | 4.1304; 4.1304; 8.4749 90; 90; 120 | 125.213 | Le Bail, A.; Ouhenia, S.; Chateigner, D. Microtwinning hypothesis for a more ordered vaterite model Note: Kamhi (1963) model, not preferred Powder Diffraction, 2011, 26, 16-21 |
| 9015900 | CIF | Al2 Ca H4 O10 Si2 | C m c m | 5.714; 8.592; 12.871 90; 90; 90 | 631.898 | Pawley, A. R.; Allan, D. R. A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN89, P = 9.8 GPa Mineralogical Magazine, 2001, 65, 41-58 |
| 9015903 | CIF | Al7.2 B3 Ca0.02 F0.699 Fe0.909 H6.189 Li0.741 Mn0.09 Na0.83 O30.3 Si6 Zn0.06 | 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: split-site SREF American Mineralogist, 2013, 98, 297-303 |
| 9015904 | CIF | Al4.86 Ca0.53 H31.48 K1.26 Mg Na0.15 O51.74 Si13.14 | P 63/m m c | 18.392; 18.392; 7.646 90; 90; 120 | 2239.87 | Galli, E. Crystal structure refinement of mazzite Rendiconti della Societa Italiana di Mineralogia e Petrologia, 1975, 31, 599-612 |
| 9015905 | CIF | Al3.12 Ca0.348 H19.32 K0.52 Mg0.66 O33.66 Si8.88 | R -3 m :R | 9.3433; 9.3433; 9.3433 94.894; 94.894; 94.894 | 806.178 | Montagna, G.; Bigi, S.; Konya, P.; Szakall, S.; Vezzalini, G. Chabazite-Mg: A new natural zeolite of the chabazite series American Mineralogist, 2010, 95, 939-945 |
| 9015906 | CIF | Fe | F m -3 m | 3.477; 3.477; 3.477 90; 90; 90 | 42.035 | 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 = 25.72 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015907 | CIF | Ba10 Ca2 Cl8 H12 Mn O32 Si8 Ti | P 4/m m m | 14.03; 14.03; 5.635 90; 90; 90 | 1109.2 | Khan, A. A.; Baur, W. H. Eight-membered cyclosilicate rings in muirite Science, 1971, 173, 916-918 |
| 9015908 | CIF | C H Ho O4 | P 21 21 21 | 6.9583; 4.8121; 8.4558 90; 90; 90 | 283.134 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9015909 | CIF | B Ca H O3 | P 1 21/c 1 | 3.5624; 9.5225; 8.6231 90; 119.452; 90 | 254.718 | 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 = 295 K The Canadian Mineralogist, 2011, 49, 823-834 |
| 9015910 | CIF | F Mg3 O5 Si | P b n m | 4.7; 10.2; 8.72 90; 90; 90 | 418.037 | Taylor, W.; West, J. The Structure of Norbergite _cod_database_code 1011009 Zeitschrift fur Kristallographie, 1929, 70, 461-474 |
| 9015911 | CIF | Al2.06 Ca1.88 Cr0.6 Fe0.14 H2 K0.07 Mg4.06 Na O24 Si6.12 Ti0.02 | C 1 2/m 1 | 9.9176; 18.0057; 5.2865 90; 105.395; 90 | 910.155 | Nishio-Hamane D; Ohnishi, M.; Minakawa, T.; Yamaura, J.; Saito, S.; Kadota, R. Ehimeite, NaCa2Mg4CrSi6Al2O22(OH)2: The first Cr-dominant amphibole from the Akaishi Mine, Higashi-Akaishi Mountain, Ehime Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2012, 107, 1-7 |
| 9015912 | CIF | Al7.392 B3.042 Ca0.02 F0.81 H3.19 Li0.78 Mn0.651 Na0.84 O30.19 Si5.922 Ti0.009 | R 3 m :H | 15.8887; 15.8887; 7.1202 90; 90; 120 | 1556.68 | 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 MAP12 European Journal of Mineralogy, 2012, 24, 695-715 |
| 9015913 | CIF | Al8.37 B6.06 Ca0.05 F0.79 Fe1.122 H6.03 K0.01 Li1.182 Mn0.96 Na0.89 O42.21 Si5.868 Ti0.078 Zn0.018 | R 3 m :H | 15.9107; 15.9107; 7.1267 90; 90; 120 | 1562.42 | 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 BLG1 European Journal of Mineralogy, 2012, 24, 695-715 |
| 9015914 | CIF | C2.64 H40.56 Al0.75 Ca18 Ce0.18 F0.39 Fe3.6 K1.17 Mn5.72 Na47.84 Nb0.87 O254.37 Si75.57 Sr2.43 Ti0.57 Zr9.24 | R 3 m :H | 14.2418; 14.2418; 30.1143 90; 90; 120 | 5289.73 | Nomura, S. F.; Atencio, D.; Chukanov, N. V.; Rastsvetaeva, R. K.; Coutinho, J. M. V.; Karipidis, T. K. Manganoeudialyte - a new mineral from Pocos de Caldas, Minas Gerais, Brazil Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2010, 139, 35-47 |
| 9015915 | CIF | Al7.293 B3 Ca0.684 F0.711 Fe0.039 H3.288 Li1.62 Mn0.048 Na0.238 O30.288 Pb0.013 Si6 | R 3 m :H | 15.8286; 15.8286; 7.1012 90; 90; 120 | 1540.8 | 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: L24, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015918 | CIF | Ba O10 Sc2 Si3 | P 1 21/m 1 | 5.273; 11.9181; 6.591 90; 107.06; 90 | 395.98 | Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E. Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit European Journal of Mineralogy, 2010, 22, 245-258 |
| 9015921 | CIF | Ag0.51 Bi4 Cu0.463 Pb3.446 S10 | P n m a | 23.879; 4.0453; 19.017 90; 90; 90 | 1837 | Topa, D.; Makovicky, E. The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 6 The Canadian Mineralogist, 2010, 48, 1081-1107 |
| 9015922 | CIF | Al2 Ca0.982 H4 O10 Si2 Sr0.018 | C m c m | 5.8422; 8.7904; 13.1344 90; 90; 90 | 674.521 | 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 #AU76 American Mineralogist, 2010, 95, 724-735 |
| 9015923 | CIF | Fe Ge2 Li O6 | P 1 21/c 1 | 9.843; 8.794; 5.352 90; 108.7; 90 | 438.81 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 1.25 GPa American Mineralogist, 2009, 94, 616-621 |
| 9015924 | CIF | Cu O | C 1 2/c 1 | 4.6832; 3.4288; 5.1297 90; 99.3086; 90 | 81.287 | 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 = 0 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9015925 | CIF | C H O4 Yb | P 42/n m c :2 | 9.3771; 9.3771; 7.7117 90; 90; 90 | 678.09 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9015926 | CIF | Eu O6 Ta2 | P n m a | 11.02; 7.64; 5.61 90; 90; 90 | 472.322 | 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 |
| 9015928 | CIF | Al8.061 B3.354 Be0.024 Ca0.245 Fe0.669 H3.25 Li0.225 Mg0.039 Mn0.021 Na0.545 O31 Si5.352 Ti0.012 | R 3 m :H | 15.8472; 15.8472; 7.0988 90; 90; 120 | 1543.91 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T4 American Mineralogist, 2004, 89, 447-454 |
| 9015929 | CIF | O2 Ti | I 41/a m d :1 | 3.7845; 3.7845; 9.5143 90; 90; 90 | 136.268 | Howard, C. J.; Sabine, T. M.; Dickson, F. Structural and thermal parameters for rutile and anatase Acta Crystallographica, Section B, 1991, 47, 462-468 |
| 9015930 | CIF | Al1.457 Fe0.539 Mg1.002 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 = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015935 | CIF | Cs2 H4 O25 Se5 U4 | P 1 21/n 1 | 10.913; 12.427; 18.448 90; 90.393; 90 | 2501.78 | 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 6 The Canadian Mineralogist, 2012, 50, 147-157 |
| 9015938 | CIF | Ce H2 O5 P | P 31 2 1 | 7.055; 7.055; 6.439 90; 90; 120 | 277.551 | Mooney, R. C. L. Crystal structures of a series of rare earth phosphates Journal of Chemical Physics, 1948, 16, 1003-1003 |
| 9015939 | CIF | Al3.396 Ca1.568 H24.942 Na0.492 O36.471 Si8.556 | R -3 m :R | 9.3943; 9.3943; 9.3943 94.369; 94.369; 94.369 | 821.455 | Nakatsuka, A.; Okada, H.; Fujiwara, K.; Nakayama, N.; Mizota, T. Crystallographic configurations of water molecules and exchangeable cations in a hydrated natural CHA-zeolite (chabazite) Microporous and Mesoporous Materials, 2007, 102, 188-195 |
| 9015940 | CIF | Al0.66 As0.48 B3 Ca3.15 F11.16 Fe0.27 Mn0.03 Na0.27 O39.64 P0.05 Si6.69 Sm7.71 Y4.38 | R 3 m :H | 10.675; 10.675; 27.02 90; 90; 120 | 2666.56 | Raade, G.; Johnsen, O.; Erambert, M.; Petersen, O. V. Hundholmenite-(Y) from Norway - a new mineral species in the vicanite group: descriptive data and crystal structure Mineralogical Magazine, 2007, 71, 179-192 |
| 9015942 | 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, low-temperature experiment American Mineralogist, 2012, 97, 707-712 |
| 9015946 | CIF | Al1.608 Fe0.389 Mg1.003 O4 | F d -3 m :2 | 8.1481; 8.1481; 8.1481 90; 90; 90 | 540.965 | 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 = 3069 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015949 | CIF | Al Ca0.5 O4 Si | P 1 21 1 | 8.22; 8.951; 4.828 90; 90; 90 | 355.231 | Krivovichev, S. V.; Shcherbakova, E. P.; Nishanbaev, T. P. The crystal structure of svyatoslavite and evolution of complexity during crystallization of a CaAl2Si2O8 melt: A structural automata description The Canadian Mineralogist, 2012, 50, 585-592 |
| 9015950 | CIF | O4 Pb W | I 41/a :2 | 5.456; 5.456; 12.02 90; 90; 90 | 357.811 | Moreau, J. M.; Galez, P.; Peigneux, J. P.; Korzhik, M. V. Structural characterization of PbWO4 and related new phase Pb7W8O(32-x) Note: scheelite structure Journal of Alloys and Compounds, 1996, 238, 46-48 |
| 9015955 | CIF | Al0.37 Ca2 Fe1.63 O5 | P n m a | 5.3549; 14.541; 5.5524 90; 90; 90 | 432.341 | 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 = 3.729 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9015956 | CIF | Al8.367 B3.48 Be0.03 Ca0.252 Fe0.336 H3.31 Li0.273 Mg0.012 Mn0.015 Na0.478 O31 Si5.244 Ti0.009 | R 3 m :H | 15.7959; 15.7959; 7.0815 90; 90; 120 | 1530.19 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T3 American Mineralogist, 2004, 89, 447-454 |
| 9015957 | CIF | B6 H8 O14 Sr | P 1 21/a 1 | 14.36; 8.198; 9.93 90; 113.92; 90 | 1068.59 | Clark, J. R. Boron-oxygen polyanion in the crystal structure of tunellite Science, 1963, 141, 1178-1179 |
| 9015958 | CIF | Cl H9 Mn8 O24 Si6 | P -3 m 1 | 13.37; 13.37; 7.11 90; 90; 120 | 1100.69 | Kashaev, A. A. The crystal structure of pyrosmalite Soviet Physics Crystallography, 1968, 12, 923-924 |
| 9015959 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.1353; 5.5062; 9.9432 90; 90; 90 | 883.396 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 2.945 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9015960 | CIF | C3 H16 Eu0.03 Gd0.08 La0.61 Nd0.95 O17 Pr0.17 Sm0.12 Y0.04 | P c c n | 8.9391; 9.4694; 16.9374 90; 90; 90 | 1433.72 | Morrison, S. M.; Andrade, M. B.; Wenz, M. D.; Domanik, K. J.; Downs, R. T. Lanthanite-(Nd), Nd2(CO3)3*8H2O Acta Crystallographica, Section E, 2013, 69, i15-i16 |
| 9015962 | CIF | C Fe O3 | R -3 c :H | 4.364; 4.364; 12.66 90; 90; 120 | 208.802 | 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 P22, P = 49.2 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015963 | CIF | Al1.88 Ba Fe1.3 H3 Mg0.62 Mn0.08 O15 P3 | P 1 21/m 1 | 9.014; 12.074; 4.926 90; 100.48; 90 | 527.178 | Cooper, M. A.; Hawthorne, F. C. Refinement of the crystal structure of kulanite Note: occupancies of M1 and M2 have been switched, as noted by authors, 2006 The Canadian Mineralogist, 1994, 32, 15-19 |
| 9015964 | CIF | Fe2 O3 | R -3 c :H | 5.0346; 5.0346; 13.7473 90; 90; 120 | 301.771 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 0.001 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9015965 | CIF | Cl5 K Pb2 | P 1 21/c 1 | 8.864; 7.932; 12.491 90; 90.153; 90 | 878.23 | Schluter, J.; Pohl, D.; Britvin, S. The new mineral challacolloite, KPb2Cl5, the natural occurrence of a technically known laser material Neues Jahrbuch fur Mineralogie, Abhandlungen, 2005, 182, 95-101 |
| 9015967 | CIF | Cr H2 O2 | P n 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 |
| 9015968 | CIF | B Nd O5 Si | P 31 2 1 | 6.8035; 6.8035; 6.6487 90; 90; 120 | 266.521 | Shi, Y.; Liang, J. K.; Zhang, H.; Yang, J. L.; Zhuang, W. D.; Rao, G. H. Crystal structure and vibrational spectra studies of stillwellite compounds NdBSiO5 Journal of Alloys and Compounds, 1997, 259, 163-169 |
| 9015969 | CIF | C Ca O3 | P m c n | 4.9644; 8.0057; 5.7805 90; 90; 90 | 229.737 | 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 = 218 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015970 | CIF | Al2.73 Ba0.01 H2.86 K0.465 N0.36 Na0.03 O11.236 Si3.128 | C 1 2/c 1 | 9.027; 5.1999; 20.616 90; 100.113; 90 | 952.67 | Mesto, E.; Scordari, F.; Lacalamita, M.; Schingaro, E. Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican sandstones (Brittany, France): Structure and crystal chemistry Note: sample musc_4 American Mineralogist, 2012, 97, 1460-1468 |
| 9015971 | CIF | Al1.608 Fe0.389 Mg1.001 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 = 240 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015974 | CIF | Mg39 O120 Si28 | P 1 | 35.02; 9.23; 7.89 112.94; 90; 90 | 2348.62 | Dodony, I.; Posfai, M.; Buseck, P. R. Revised structure models for antigorite: An HRTEM study Note: n = 14 American Mineralogist, 2002, 87, 1443-1457 |
| 9015975 | CIF | Cr O4 Pb | P 1 21/n 1 | 7.127; 7.438; 6.799 90; 102.43; 90 | 351.971 | Effenberger, H.; Pertlik, F. Four monazite type structures: comparison of SrCrO4, SrSeO4, PbCrO4 (crocoite), and PbSeO4 Zeitschrift für Kristallographie, 1986, 176, 75-83 |
| 9015977 | CIF | K2 O10 Si3 Ti | P 21 21 21 | 7.1362; 9.9084; 12.9414 90; 90; 90 | 915.065 | Dadachov, M.; Le Bail, A. Structure of zeolitic K2TiSi3O9*(H2O) determined ab initio from powder diffraction data _cod_database_code 1000136 European Journal of Solid State and Inorganic Chemistry, 1997, 34, 381-390 |
| 9015978 | CIF | Fe Ge2 Li O6 | C 1 2/c 1 | 9.457; 8.69; 5.113 90; 101.41; 90 | 411.889 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 6.04 GPa American Mineralogist, 2009, 94, 616-621 |
| 9015979 | CIF | Na Nb O3 | R -3 :H | 5.335; 5.335; 15.611 90; 90; 120 | 384.796 | Kumada, N.; Kinomura, N.; Muto, F. Crystal structures of ilmenite type LiNbO~3~ and NaNbO~3~ Journal of the Ceramic Society of Japan, 1990, 98, 384-388 |
| 9015981 | CIF | Ca O8 Ti Zr2.5 | I 41/a c d :2 | 15.2203; 15.2203; 10.1224 90; 90; 90 | 2344.93 | Rossell, H. J. Calzirtite - A fluorite-related superstructure Acta Crystallographica, Section B, 1982, 38, 593-595 |
| 9015983 | CIF | B H O2 | P b n m | 8.019; 9.703; 6.13 90; 90; 90 | 476.965 | Peters, C. R.; Milberg, M. E. The refined structure of orthorhombic metaboric acid Note T = -130 C Acta Crystallographica, 1964, 17, 229-234 |
| 9015984 | CIF | Ca2 Fe2 H O15 Si5 | P -1 | 12.234; 6.707; 7.682 93.97; 111.53; 85.25 | 583.826 | Kosoi, A. L. Structure of babingtonite Kristallografiya, 1975, 20, 730-739 |
| 9015985 | CIF | Fe1.001 Nb0.13 O6 Ta1.869 | P 42/m n m | 4.7509; 4.7509; 9.2811 90; 90; 90 | 209.484 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q3, treated at 600 C for 50 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015986 | CIF | As H6 K O9 U | P 4/n c c :2 | 7.176; 7.176; 18.126 90; 90; 90 | 933.398 | Ross, M.; Evans, H. T. Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O American Mineralogist, 1964, 49, 1578-1602 |
| 9015987 | CIF | Al7.224 B3 Ca0.636 F0.709 Fe0.045 H3.291 Li1.593 Mg0.003 Mn0.135 Na0.282 O30.291 Pb0.02 Si6 Ti0.003 | R 3 m :H | 15.8363; 15.8363; 7.104 90; 90; 120 | 1542.91 | 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: L7, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015988 | CIF | C1.083 H5.48 Mg2 N0.136 O11.376 Si3 | P n c n | 13.271; 27.072; 5.2748 90; 90; 90 | 1895.09 | Giustetto, R.; Levy, D.; Wahyudi, O.; Ricchiardi, G.; Vitillo, J. G. Crystal structure refinement of a sepiolite/indigo Maya Blue pigment using molecular modelling and synchrotron diffraction Note: Sepiolite with indigo forming Maya Blue European Journal of Mineralogy, 2011, 23, 449-466 |
| 9015989 | CIF | Al2 H4 Mg2 O9 Si | C 1 | 5.299; 9.181; 14.05 90.06; 90.3; 90 | 683.524 | Zheng, H.; Bailey, S. W. Refinement of an amesite-2H1 polytype from Postmasburg, South Africa Note: polytype 2H1 Clays and Clay Minerals, 1997, 45, 301-310 |
| 9015992 | CIF | Ca O3 Sn | P b n m | 5.5043; 5.6558; 7.8687 90; 90; 90 | 244.962 | Zhao, J.; Ross, N. L.; Angel, R. J. Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 0.738 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9015995 | CIF | As Co0.01 Ni0.97 S0.02 | P 63 m c | 3.619; 3.619; 5.036 90; 90; 120 | 57.121 | Ondrus, P.; Veselovsky, F.; Gabasova, A.; Hlousek, J.; Srein, V.; Vavrnn, I.; Skala, R.; Sejkora, J.; Drabek, M. Primary minerals of the Jachymov ore district Sample MP511 Journal of the Czech Geological Society, 2003, 48, 19-147 |
| 9015996 | CIF | Al7.308 B3 Ca0.691 F0.679 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, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015997 | CIF | C Fe O3 | R -3 c :H | 4.367; 4.367; 12.74 90; 90; 120 | 210.41 | 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 P21, P = 47.49 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015998 | CIF | K Mn2 O24 P5 | P 1 21/a 1 | 14.546; 15.211; 9.86 90; 105.12; 90 | 2106.09 | Schuelke, U.; Averbuch-Pouchot M Preparation and crystal structure of potassium manganese cyclodecaphosphate octadecahydrate: K2Mn4P10O30*18H2O _cod_database_code 1008657 Zeitschrift fur Anorganische und Allgemeine Chemie, 1994, 620, 545-550 |
| 9016000 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.39675; 7.39675; 15.8465 90; 90; 90 | 866.992 | 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 = 5 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9016003 | CIF | Cl1.45 Pb3.45 S6.55 Sb2.55 | P b a m | 15.194; 23.035; 4.0591 90; 90; 90 | 1420.66 | Doussier, C.; Moelo, Y.; Meerschaut, A.; Leone, P.; Guillot-Deudon C Crystal structure of the new compound Pb3+xSb3 xS7 xCl1+x(x~0.45): The homologous series Pb(2+2N)(Sb,Pb)(2+2N)S(2+2N)(S,Cl)(4+2N)ClN and its polychalcogenide derivatives (N = 1-3) Journal of Solid State Chemistry, 2008, 181, 920-934 |
| 9016004 | CIF | Al1.61 Fe0.391 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 = 189 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016006 | CIF | Ce O6 Ta Ti | P n m a | 10.9694; 7.5288; 5.3829 90; 90; 90 | 444.554 | 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 |
| 9016007 | CIF | Al1.46 Fe0.54 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 550 C Annealing time = 339,180 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016009 | CIF | Fe5 Si3 | P 63/m c m | 6.7108; 6.7108; 4.688 90; 90; 120 | 182.838 | 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 = 5.7 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9016010 | CIF | Cu3 H2 Mo2 O10 | P 1 21/n 1 | 5.3867; 14.001; 5.601 90; 98.535; 90 | 417.745 | Bao, R. L.; Kong, Z. P.; Cu, M.; Yue, B.; Weng, L. H.; He, H. Y. Hydrothermal synthesis and thermal stability of natural mineral lindgrenite Note: atomic coordinates transformed to standard setting Chemical Research in Chinese Universities, 2006, 22, 679-683 |
| 9016012 | CIF | Al2.038 Ba0.01 Ca0.02 Fe0.14 H2 K0.87 Mg0.5 Na0.07 O12 Si3.392 Ti0.01 | C 1 2/c 1 | 5.2112; 9.0383; 19.9473 90; 95.769; 90 | 934.767 | Guven, N. The crystal structures of 2M1 phengite and 2M1 muscovite Note: sample 2M1 phengite Zeitschrift fur Kristallographie, 1971, 134, 196-212 |
| 9016013 | CIF | Ca2 Fe2 O5 | P n m a | 5.4271; 14.7619; 5.5978 90; 90; 90 | 448.464 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 0.0001 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9016016 | CIF | K Sb | 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 |
| 9016017 | CIF | C Ca O3 | P m c n | 4.9731; 8.0384; 5.8236 90; 90; 90 | 232.803 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 398 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016018 | CIF | Al0.55 Ca2 Fe1.45 O5 | I 2 m b | 5.324; 14.438; 5.545 90; 90; 90 | 426.233 | 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 = 4.511 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9016019 | CIF | Ca1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8 | C 1 2/m 1 | 9.841; 18.019; 5.307 90; 105.33; 90 | 907.58 | 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 = 0.67 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9016020 | CIF | C Ca O3 | R -3 c :H | 4.9767; 4.9767; 17.361 90; 90; 120 | 372.382 | 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 = 578 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016021 | CIF | Al1.455 Fe0.545 Mg 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 = 17,520 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016022 | CIF | C Ca O3 | R -3 c :H | 4.99026; 4.99026; 17.0684 90; 90; 120 | 368.103 | 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 |
| 9016025 | CIF | Fe | F m -3 m | 3.475; 3.475; 3.475 90; 90; 90 | 41.963 | 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 = 24.37 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9016027 | CIF | As3 Ca0.4 Ce0.06 Cu6 Fe0.09 H12.96 La0.04 Nd0.01 O21 Y0.31 | P 63/m | 15.583; 15.583; 5.895 90; 90; 120 | 1239.7 | Aruga, A.; Nakai, I. Structure of Ca-rich agardite, (Ca0.40Y0.31Fe0.09Ce0.06La0.04Nd0.01)Cu6.19[(AsO4)2.42(HAsO4)0.49](OH)6.38*3H2O Acta Crystallographica, Section C, 1985, 41, 161-163 |
| 9016028 | CIF | Mn O2 | P n a m | 9.32; 4.46; 2.85 90; 90; 90 | 118.467 | Kondrashev, Y. D.; Zaslavskii, A. I. The structure of the modifications of manganese oxide Izvestiya Akademii Nauk SSSR, 1951, 15, 179-186 |
| 9016029 | CIF | Al1.459 Fe0.54 Mg1.003 O4 | F d -3 m :2 | 8.1705; 8.1705; 8.1705 90; 90; 90 | 545.439 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 381 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016030 | CIF | Ce0.62 Dy0.02 Er0.01 F0.24 Gd0.02 La0.03 Nd0.06 O1.68 Pr0.01 Sm0.01 Y0.2 Yb0.02 | F m -3 m | 5.4203; 5.4203; 5.4203 90; 90; 90 | 159.247 | Zaitsev, A. N.; Chakhmouradian, A. R.; Siidra, O. I.; Spratt, J.; Williams, C. T.; Stanley, C. J.; Petrov, S. V.; Britvin, S. N.; Polyakova, E. A. Fluorine-, yttrium- and lanthanide-rich cerianite-(Ce) from carbonatitic rocks of the Kerimasi volcano and surrounding explosion craters, Gregory Rift, northern Tanzania Mineralogical Magazine, 2011, 75, 2813-2822 |
| 9016031 | CIF | Cr2.5 Fe2.5 | P 42/m n m | 8.8; 8.8; 4.544 90; 90; 90 | 351.887 | Bergman, G.; Shoemaker, D. P. The determination of the crystal structure of the sigma phase in the iron-chromium and iron-molybdenum systems Acta Crystallographica, 1954, 7, 857-865 |
| 9016033 | CIF | Ca Fe0.05 H4 K4 N2 Na4 O24 S4 | C 1 2/c 1 | 24.902; 5.3323; 17.246 90; 94.281; 90 | 2283.62 | Nestola, F.; Camara, F.; Chukanov, N. V.; Atencio, D.; Coutinho, J. M. V.; Contreira, R. R.; Farber, G. Witzkeite: A new rare nitrate-sulphate mineral from a guano deposit at Punta de Lobos, Chile American Mineralogist, 2012, 97, 1783-1787 |
| 9016034 | CIF | Al2.872 H3 K0.201 N0.78 O12 Si3.128 | C 1 2/c 1 | 9.024; 5.2055; 20.825 90; 99.995; 90 | 963.396 | Mesto, E.; Scordari, F.; Lacalamita, M.; Schingaro, E. Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican sandstones (Brittany, France): Structure and crystal chemistry Note: sample tob_7 American Mineralogist, 2012, 97, 1460-1468 |
| 9016035 | CIF | O3.6 Pb0.875 W | P 4/n n c :2 | 7.719; 7.719; 12.018 90; 90; 90 | 716.068 | Moreau, J. M.; Galez, P.; Peigneux, J. P.; Korzhik, M. V. Structural characterization of PbWO4 and related new phase Pb7W8O(32-x) Journal of Alloys and Compounds, 1996, 238, 46-48 |
| 9016036 | CIF | Al14.648 Fe H Mg0.214 O32 Ti0.78 Zn6.37 | P 63 m c | 5.729; 5.729; 37.097 90; 90; 120 | 1054.45 | Armbruster, T.; Bermanec, V.; Zebec, V.; Oberhansli, R. Titanium and iron poor zincohogbomite-16H, Zn14(Al,Fe3+,Ti,Mg)8Al24O62(OH)2, from Nezilovo, Macedonia: occurence and crystal structure of a new polysome Schweizerische Mineralogische und Petrographische Mitteilungen, 1998, 78, 469-477 |
| 9016037 | CIF | Al7.317 B3 Ca0.695 F0.678 Fe0.057 H3.322 Li1.569 Mg0.021 Mn0.033 Na0.24 O30.322 Pb0.007 Si6 Ti0.003 | R 3 m :H | 15.8299; 15.8299; 7.1009 90; 90; 120 | 1540.99 | 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: L23, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016039 | CIF | C H K O3 | P 1 21/a 1 | 15.115; 5.6044; 3.6609 90; 103.98; 90 | 300.931 | 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 = 95 K Note z-coordinate of O3 has been modified with a negative sign Acta Crystallographica, Section B, 1974, 30, 1155-1166 |
| 9016041 | CIF | Li O8 Ta3 | C 1 2/c 1 | 9.41; 11.521; 5.0506 90; 91.108; 90 | 547.446 | Santoro, A.; Roth, R. S.; Minor, D. Neutron powder diffraction study of the intermediate-temperature form of lithium tantalate Acta Crystallographica, Section B, 1977, 33, 3945-3947 |
| 9016042 | CIF | Al2 Ca0.82 H4 O10 Si2 Sr0.18 | C m c m | 5.8433; 8.8169; 13.1726 90; 90; 90 | 678.65 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU83 American Mineralogist, 2010, 95, 724-735 |
| 9016044 | CIF | Ba Mg2 O7 Si2 | C 1 2/c 1 | 7.24553; 12.71376; 13.74813 90; 90.2107; 90 | 1266.44 | Park, C. H.; Choi, Y. N. Crystal structure of BaMg2Si2O7 and Eu2+ luminescence Journal of Solid State Chemistry, 2009, 182, 1884-1888 |
| 9016046 | CIF | Al9.84 Ca0.84 H12 Mg2.6 Mn6.72 O56 P0.5 Si11.5 | P n m m :2 | 8.6891; 5.7755; 36.9504 90; 90; 90 | 1854.31 | Orlandi, P.; Biagioni, C.; Pasero, M.; Mellini, M. Lavoisierite, Mn2+8[Al10(Mn3+Mg)][Si11P]O44(OH)12, a new mineral from Piedmont, Italy: the link between "ardennite" and sursassite Physics and Chemistry of Minerals, 2013, 40, 239-249 |
| 9016047 | CIF | Ba Er2 O10 Si3 | P 1 21/m 1 | 5.389; 12.163; 6.84 90; 106.47; 90 | 429.941 | Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E. Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit European Journal of Mineralogy, 2010, 22, 245-258 |
| 9016050 | CIF | Al0.201 Fe0.339 H4 Mg2.544 O9 Si1.904 | P 3 1 m | 5.3263; 5.3263; 7.2885 90; 90; 120 | 179.069 | Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E. The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: sample Santa Scolastica, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054 |
| 9016051 | CIF | Al1.463 Fe0.535 Mg1.002 O4 | F d -3 m :2 | 8.1704; 8.1704; 8.1704 90; 90; 90 | 545.419 | 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 = 6 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016052 | CIF | Mg O3 Si | P b c a | 18.056; 8.692; 5.1192 90; 90; 90 | 803.421 | 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 = 4.19(4) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9016053 | CIF | C0.5 Ca3 O25 S1.27 Si | P 63 | 11.07; 11.07; 10.4397 90; 90; 120 | 1107.93 | Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B. The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample Zb-01, single crystal Mineralogical Magazine, 2012, 76, 1133-1152 |
| 9016054 | CIF | H1.816 Na0.06 O15.908 Rb1.769 Si6 Zr | C m c a | 14.2999; 14.4408; 14.769 90; 90; 90 | 3049.83 | 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 Note: Rb-exchanged at 150 deg C Crystallography Reports, 2011, 56, 832-841 |
| 9016056 | CIF | Cd Se | P 63 m c | 4.299; 4.299; 7.01 90; 90; 120 | 112.198 | Freeman, D. K.; Mair, S. L.; Barnea, Z. The structure and Bijvoet ratios of cadmium selenide Acta Crystallographica, Section A, 1977, 33, 355-359 |
| 9016057 | CIF | Cu O | C 1 c 1 | 4.6893; 3.4268; 5.1321 90; 99.653; 90 | 81.302 | Asbrink, S.; Waskowska, A. CuO: x-ray single-crystal structure determination at 196 K and room temperature Note: T = 196 K Journal of Physics: Condensed Matter, 1991, 3, 8173-8180 |
| 9016060 | CIF | Al7.239 B3 Ca0.487 F0.708 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, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016061 | CIF | Cu H2 O20 Pb6 Te4 | P 1 21/n 1 | 7.8552; 10.4836; 11.0426 90; 95.547; 90 | 905.108 | Kampf, A. R.; Marty, J.; Thorne, B. Lead-tellurium oxysalts from Otto Mountain near Baker, California: II. Housleyite, Pb6CuTe4O18(OH)2, a new mineral with Cu-Te octahedral sheets American Mineralogist, 2010, 95, 1337-1342 |
| 9016063 | CIF | As0.66 O14 P1.34 Pb3 Te Zn3 | P 3 2 1 | 8.3942; 8.3942; 5.1847 90; 90; 120 | 316.383 | Mills, S. J.; Kampf, A. R.; Kolitsch, U.; Housley, R. M.; Raudsepp, M. The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 American Mineralogist, 2010, 95, 933-938 |
| 9016066 | CIF | Fe15.18 H0.5 K1.72 Na4.42 O50 P12 | C 1 2/c 1 | 16.53; 10.084; 24.64 90; 105.75; 90 | 3953 | Yakubovich, O. V.; Matviyenko, Y. N.; Simonov, M. A.; Melnikov, O. K. The crystalline structure of synthetic Fe3±arrojadites with the idealized formula K2Na5Fe2+14Fe3+(PO4)12(OH)2 Note: the number of errors and/or typos in this paper is large Vestnik Moskovskogo Universiteta Geologiya, 1986, 41, 36-47 |
| 9016067 | CIF | Fe Ge2 Li O6 | C 1 2/c 1 | 9.448; 8.67; 5.101 90; 101.19; 90 | 409.901 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 6.48 GPa American Mineralogist, 2009, 94, 616-621 |
| 9016068 | CIF | Ca3.46 O69.98 Si24 | I m m a | 20.082; 23.613; 12.709 90; 90; 90 | 6026.56 | Arletti, R.; Quartieri, S.; Vezzalini, G. Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: A case of high-pressure-induced over hydration, Sample: P = 2.5 GPa Note: assignment of site chemistry does not match chemical analysis American Mineralogist, 2010, 95, 1247-1256 |
| 9016069 | CIF | Ca1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8 | C 1 2/m 1 | 9.685; 17.794; 5.242 90; 105.94; 90 | 868.644 | 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 = 5.42 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9016070 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8284; 7.5995; 9.631 90; 90.18; 90 | 353.393 | 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 = 100 K American Mineralogist, 2010, 95, 1413-1421 |
| 9016071 | CIF | C Ca O3 | P m c n | 4.9778; 8.0528; 5.8462 90; 90; 90 | 234.346 | 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 = 477 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016072 | CIF | Al0.94 Cr0.06 Nb O4 | C 1 2/m 1 | 12.162; 3.7454; 6.491 90; 107.64; 90 | 281.772 | Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N06 American Mineralogist, 2012, 97, 910-917 |
| 9016073 | CIF | Al0.706 Ca0.154 H3.27 Na0.592 O5.635 Si1.294 | P m n b | 10.1035; 9.7819; 10.1523 90; 90; 90 | 1003.37 | Gatta, G. D.; Birch, W. D.; Rotiroti, N. Reinvestigation of the crystal structure of the zeolite gobbinsite: a single-crystal x-ray diffraction study American Mineralogist, 2010, 95, 481-486 |
| 9016074 | CIF | Ag17.742 As3.552 S15 Sb0.448 | P -3 m 1 | 7.5984; 7.5984; 15.557 90; 90; 120 | 777.859 | Bindi, L.; Menchetti, S. Fast ion conduction character and ionic phase-transition in silver sulfosalts: The case of fettelite [Ag6As2S7][Ag10HgAs2S8] Note: T = 400 K American Mineralogist, 2011, 96, 792-796 |
| 9016076 | CIF | Al1.46 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.1712; 8.1712; 8.1712 90; 90; 90 | 545.579 | 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 = 6141 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016077 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7554; 4.7554; 9.2281 90; 90; 90 | 208.683 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim5_q1, treated at 750 C for 30 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9016078 | CIF | N O12 P4 Pr | C 1 2/c 1 | 7.916; 12.647; 10.672 90; 110.34; 90 | 1001.79 | Masse, R.; Guitel, J. C.; Durif, A. Structure cristalline du tetrametaphosphate de praseodyme-ammonium, PrN H4 P4 O12. Donnees cristallographiques de Pr N H4 P4 O12 Acta Crystallographica, Section B, 1977, 33, 630-632 |
| 9016079 | CIF | As0.54 Cl Cu4 O6 V0.46 | P b c m | 5.44; 11.154; 10.333 90; 90; 90 | 626.983 | Starova, G. L.; Krivovichev, S. V.; Filatov, S. K. Crystal chemistry of inorganic compounds based on chains of oxocentered tetrahedra II. Crystal structure of Cu~4~O~2~[(As,V)O~4~]Cl Zeitschrift für Kristallographie, 1998, 213, 650-653 |
| 9016080 | CIF | Ba0.295 O4 Ti1.3 V0.7 | I 4/m | 10.139; 10.139; 2.961 90; 90; 90 | 304.389 | Shi, N.; Ma, Z.; Liu, W. Crystal structure determination of ankangite with one dimensional incommensurate modulation Acta Petrologica et Mineralogica, 1991, 10, 233-245 |
| 9016082 | CIF | C Fe O3 | R -3 c :H | 4.65; 4.65; 15.12 90; 90; 120 | 283.132 | 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 P3, P = 4.89 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016083 | CIF | Al5.47 B3.17 Ca0.18 Fe1.67 H3.6 Mg1.86 Na0.77 O31 Si5.78 Ti0.05 | R 3 m :H | 15.96; 15.96; 7.238 90; 90; 120 | 1596.67 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Dravite 43167 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9016084 | CIF | Ba O3 Ti | A m m 2 | 3.9841; 5.6741; 5.6916 90; 90; 90 | 128.665 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 230 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9016086 | CIF | Al Cu F H5 O4 | C 1 2/m 1 | 12.346; 2.907; 10.369 90; 97.9; 90 | 368.61 | Hager, S. L.; Leverett, P.; Williams, P. A. Possible structural and chemical relationships in the cyanotrichite group The Canadian Mineralogist, 2009, 47, 635-648 |
| 9016089 | CIF | C H O4 Tb | P 21 21 21 | 7.0256; 4.8577; 8.4657 90; 90; 90 | 288.92 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9016090 | CIF | Al1.609 Fe0.39 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 = 17,520 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016091 | CIF | Al2 Be3 H2 O19 Si6 | P 6/m c c | 9.213; 9.213; 9.206 90; 90; 120 | 676.712 | Gibbs, G. V.; Breck, D. W.; Meagher, E. P. Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: hydrous beryl Lithos, 1968, 1, 275-285 |
| 9016092 | CIF | Fe3.797 H12 Mg1.203 Na0.365 O24 P4 | C 2 2 21 | 12.7997; 17.9081; 8.2112 90; 90; 90 | 1882.16 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Favreau, G.; Boulliard, J. C.; Bourgoin, V. Angarfite, NaFe3+5(PO4)4(OH)4*4H2O, a new mineral species from the Angarf-Sud pegmatite, Morocco: description and crystal structure The Canadian Mineralogist, 2012, 50, 781-791 |
| 9016095 | CIF | As S | P 1 21/n 1 | 8.873; 12.789; 6.251 90; 107; 90 | 678.349 | 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 = 3.53 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9016096 | CIF | Al1.609 Fe0.391 Mg O4 | F d -3 m :2 | 8.147; 8.147; 8.147 90; 90; 90 | 540.746 | 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 = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016097 | CIF | H10 Mn8 O25 Si6 | P -3 m 1 | 13.42; 13.42; 7.159 90; 90; 120 | 1116.57 | Takeuchi, Y.; Kawada, I.; Irimaziri, S.; Sadanaga, R. The crystal structure and polytypism of manganpyrosmalite Mineralogical Journal, 1969, 5, 450-467 |
| 9016099 | CIF | D4 Na3 O10 Si Ti2 | P 42/m c m | 7.8099; 7.8099; 11.956 90; 90; 90 | 729.251 | Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V. Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 298 K with neutron Chemistry of Materials, 2010, 22, 4222-4231 |
| 9016100 | CIF | Ca3 O7 Si2 | I 2 c m | 11.4525; 5.0867; 21.9963 90; 90; 90 | 1281.4 | Galuskin, E. V.; Gfeller, F.; Savelyeva, V. B.; Armbruster, T.; Lazic, B.; Galuskina, I. O.; Tobbens, D. M.; Zadov, A. E.; Dzierzanowski, P.; Pertsev, N. N.; Gazeev, V. M. Pavlovskyite Ca8(SiO4)2(Si3O10): a new mineral of altered silicate-carbonate xenoliths from the two Russian type localities, Birkhin massif, Baikal Lake area and Upper Chegem caldera, North Caucasus American Mineralogist, 2012, 97, 503-512 |
| 9016101 | CIF | Al9.024 B6.288 Ca0.12 F0.69 Fe0.18 H6.31 Li1.38 Mn0.858 Na0.76 O42.31 Si5.712 Ti0.018 | R 3 m :H | 15.843; 15.843; 7.1051 90; 90; 120 | 1544.46 | 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 BLP1 European Journal of Mineralogy, 2012, 24, 695-715 |
| 9016102 | CIF | Al2.964 H6.159 K0.876 Na0.071 O14.053 S2 | R -3 m :H | 6.9749; 6.9749; 17.315 90; 90; 120 | 729.506 | 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 = 25 C Mineralogical Magazine, 2012, 76, 613-623 |
| 9016105 | CIF | Cu O | C 1 2/c 1 | 4.6833; 3.4208; 5.1294 90; 99.567; 90 | 81.033 | Brese, N. E.; O'Keeffe M; Ramakrishna, B. L.; von Dreele, R. B. Low-temperature structures of CuO and AgO and their relationships to those of MgO and PdO Note: T = 11 K Journal of Solid State Chemistry, 1990, 89, 184-190 |
| 9016106 | CIF | O0.18 Pb13.44 S36 Sb15.56 | C 1 2/m 1 | 48.19; 4.11; 34.24 90; 106.059; 90 | 6516.97 | Topa, D.; Sejkora, J.; Makovicky, E.; Prsek, J.; Ozdin, D.; Putz, H.; Dittrich, H.; Karup-Moller S Chovanite, Pb15-2xSb14+2xS36Ox (x~0.2), a new sulphosalt species from the Low Tatra Mountains, Western Carpathians, Slovakia European Journal of Mineralogy, 2012, 24, 727-740 |
| 9016109 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.39482; 7.39482; 15.8504 90; 90; 90 | 866.753 | 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 = 150 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9016110 | CIF | Al Ge2 Li O6 | P 1 21/n 1 | 9.8986; 8.4008; 5.4016 90; 110.648; 90 | 420.323 | Redhammer, G. J.; Nestola, F.; Miletich, R. Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LA2n_L_tr American Mineralogist, 2012, 97, 1213-1218 |
| 9016111 | CIF | Mg1.84 O4 Si0.98 | 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, split Si model American Mineralogist, 2012, 97, 573-582 |
| 9016112 | CIF | Be O | P 63 m c | 2.7109; 2.7109; 4.3999 90; 90; 120 | 28.003 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 963 K Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9016113 | CIF | Al2.5 Ca0.798 H5.698 Na0.676 O12.849 Si2.5 | P b m n | 13.0603; 13.0456; 6.5981 90; 90; 90 | 1124.18 | Gatta, G. D.; Kahlenberg, V.; Kaindl, R.; Rotiroti, N.; Cappelletti, P.; de Gennaro, M. Crystal structure and low-temperature behavior of "disordered" thomsonite T = 98.0 K American Mineralogist, 2010, 95, 495-502 |
| 9016115 | CIF | Ca2 O12 Pb Si3 Zn3 | P 1 21/n 1 | 8.7889; 8.2685; 15.2535 90; 90.05; 90 | 1108.49 | Tait, K. T.; Yang, H.; Downs, R. T.; Li, C.; Pinch, W. W. The crystal structure of esperite, with a revised chemical formula, PbCa2(ZnSiO4)3, isostructural with beryllonite American Mineralogist, 2010, 95, 699-705 |
| 9016116 | CIF | Mg0.6 Mn1.4 O4 Si | P n m a | 10.52411; 6.17903; 4.83927 90; 90; 90 | 314.692 | 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 |
| 9016118 | CIF | O7 P V | P 1 21/c 1 | 7.613; 7.431; 9.482 90; 95.44; 90 | 534.002 | Le Bail, A.; Ferey, G.; Amoros, P.; Beltran-Portier D Structure of vanadyl hydrogenphosphate dihydrate alpha-VO(HPO4)*2H2O solved from X-ray and neutron powder diffraction _cod_database_code 1000083 European Journal of Solid State and Inorganic Chemistry, 1989, 26, 419-426 |
| 9016119 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7551; 4.7551; 9.281 90; 90; 90 | 209.852 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim14_q0, untreated Mineralogical Magazine, 2006, 70, 319-328 |
| 9016121 | CIF | Ag0.997 Au0.001 Bi0.003 Sb0.002 | F m -3 m | 4.077; 4.077; 4.077 90; 90; 90 | 67.768 | Novgorodova, M. I.; Gorshkov, A. I.; Mokhov, A. V. Native silver and its new structural modifications Note: Sample DV-260 International Geology Review, 1981, 23, 485-494 |
| 9016123 | CIF | As2 H10 Mn3 O14 | P 1 | 5.5828; 9.766; 5.5455 94.467; 111.348; 93.85 | 279.26 | Callegari, A. M.; Boiocchi, M.; Ciriotti, M. E.; Balestra, C. Coralloite, Mn2+Mn3+2(AsO4)2(OH)2*4H2O, a new mixed valence Mn hydrate arsenate: crystal structure and relationships with bermanite and whitmoreite mineral groups American Mineralogist, 2012, 97, 727-734 |
| 9016124 | CIF | As2 H14 Mg0.4 Ni0.6 O17 U2 | C 1 2/m 1 | 17.91; 6.985; 6.594 90; 99.89; 90 | 812.659 | Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Chukanov, N. V.; Bryzgalov, I. A.; Zadov, A. E. New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: II. Dymkovite, Ni(UO2)2(As3+O3)2*7H2O, a seelite-related arsenite European Journal of Mineralogy, 2012, 24, 923-930 |
| 9016125 | CIF | Ca3 O5 Si | P -1 | 11.6389; 14.1716; 13.6434 104.982; 94.622; 90.107 | 2166.2 | De la Torre, A. G.; De Vera, R. N.; Cuberos, A. J. M.; Aranda, M. A. G. Crystal structure of low magnesium-content alite: application to Rietveld quantitative phase analysis Cement and Concrete Research, 2008, 38, 1261-1269 |
| 9016126 | CIF | La0.17 Na1.5 Nb2 O6 | P b c m | 5.5189; 5.5458; 15.6313 90; 90; 90 | 478.423 | 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 = .5, La.17Na1.5Nb2O6 Inorganic Materials, 2004, 40, 1324-1330 |
| 9016127 | CIF | Al Cl3 O6 | R -3 c :R | 7.85; 7.85; 7.85 97; 97; 97 | 471.94 | Andress, K.; Carpenter, C. Kristallhydrate. II.Die Struktur von Chromchlorid- und Aluminiumchloridhexahydrat _cod_database_code 1011008 Zeitschrift fur Kristallographie, 1934, 87, 446-463 |
| 9016129 | CIF | Ca2 O4 Si | P b n m | 5.074; 11.211; 6.753 90; 90; 90 | 384.142 | Zadov, A. E.; Gazeev, V. M.; Pertsev, N. N.; Gurbanov, A. G.; Gobechiya, E. R.; Yamnova, N. A.; Chukanov, N. V. Calcioolivine, gamma-Ca2SiO4, an old and new mineral species Kabarda-Balkaria Republic, Russia Geology of Ore Deposits, 2009, 51, 741-749 |
| 9016130 | CIF | As2 Pt | P a -3 | 5.9665; 5.9665; 5.9665 90; 90; 90 | 212.402 | Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741 |
| 9016131 | CIF | C Na1.959 O3 | C 1 2/m 1 | 8.851; 5.24; 6.021 90; 101.08; 90 | 274.044 | 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 |
| 9016133 | CIF | As S | P 1 21/n 1 | 9.164; 13.227; 6.47 90; 106.56; 90 | 751.714 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 0.89 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9016134 | CIF | Fe Si2 | P 4/m m m | 2.684; 2.684; 5.128 90; 90; 90 | 36.941 | Aronsson, B. A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2 Acta Chemica Scandinavica, 1960, 14, 1414-1418 |
| 9016135 | CIF | B H O2 | P 1 21/a 1 | 7.127; 8.842; 6.773 90; 93.21; 90 | 426.144 | Demartin, F.; Gramaccioli, C. M.; Campostrini, I. Clinometaborite, natural beta-metaboric acid, from La Fossa Crater, Vulcano, Aeolian Islands, Italy The Canadian Mineralogist, 2011, 49, 1273-1279 |
| 9016136 | CIF | B O8 P Th2 | P 1 21/c 1 | 8.4665; 7.9552; 8.2297 90; 103.746; 90 | 538.417 | Lipp, C.; Burns, P. C. Th2[BO4][PO4]: a rare example of an actinide borate-phosphate The Canadian Mineralogist, 2011, 49, 1211-1220 |
| 9016137 | CIF | Ba Be2 O7 Si2 | P m 1 1 | 11.618; 4.904; 4.655 89.94; 90; 90 | 265.217 | Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structure and microtwinning of a new mineral clinobarylite, BaBe2Si2O7 Doklady Akademii Nauk, 2003, 388, 205-207 |
| 9016138 | CIF | Mg1.88 O4 Si0.98 | F d -3 m :2 | 8.1084; 8.1084; 8.1084 90; 90; 90 | 533.096 | 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 = 586 K American Mineralogist, 2012, 97, 573-582 |
| 9016139 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.7838; 9.1349; 5.1929 90; 101.75; 90 | 454.385 | 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 = 50 K American Mineralogist, 2012, 97, 694-706 |
| 9016140 | CIF | Al2 Fe H4 O10 Si2 | C c c b :1 | 13.77; 20.18; 5.109 90; 90; 90 | 1419.68 | MacGillavry, C. H.; Korst, W. L.; Weichel Moore, E. J.; van der Plas, H. J. The crystal structure of ferrocarpholite Acta Crystallographica, 1956, 9, 773-776 |
| 9016141 | CIF | Ca3 F3 K2.44 Mg3 Na6.56 O36 S9 | P 63/m c m | 16.6682; 16.6682; 6.9007 90; 90; 120 | 1660.36 | Pekov, I. V.; Zelenski, M. E.; Zubkova, N. V.; Ksenofontov, D. A.; Kabalov, Y. K.; Chukanov, N. V.; Yapaskurt, V. O.; Zadov, A. E.; Pushcharovsky, D. Y. Krasheninnikovite, KNa2CaMg(SO4)3F, a new mineral from the Tolbachik volcano, Kamchatka, Russia American Mineralogist, 2012, 97, 1788-1795 |
| 9016142 | CIF | Na2 O11 P Te | P 63 | 5.908; 5.908; 15.09 90; 90; 120 | 456.143 | 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 |
| 9016143 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7507; 4.7507; 9.2794 90; 90; 90 | 209.428 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q6, treated at 650 C for 15 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9016145 | CIF | Ag7.998 S3.897 Sn Te2.103 | F -4 3 m | 11.0003; 11.0003; 11.0003 90; 90; 90 | 1331.11 | Bindi, L.; Nestola, F.; Guastoni, A.; Zorzi, F.; Peruzzo, L.; Raber, T. Te-rich canfieldite, Ag8Sn(S,Te)6, from Lengenbach Quarry, Binntal, Canton Valais, Switzerland: Occurrence, description and crystal structure The Canadian Mineralogist, 2012, 50, 111-118 |
| 9016146 | CIF | C Ca O3 | P m c n | 4.9576; 7.9835; 5.7503 90; 90; 90 | 227.591 | 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 = 70 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016147 | CIF | Al0.235 Fe0.147 H4 Mg2.733 O9 Si1.882 | P 3 1 m | 5.3261; 5.3261; 7.273 90; 90; 120 | 178.675 | Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E. The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: Varana 2, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054 |
| 9016148 | CIF | H30 Na3 O43 V10 | P 1 21/n 1 | 12.0627; 17.1745; 18.2094 90; 106.34; 90 | 3620.08 | Duraisamy, T.; Ramanan, A.; Vittal, J. J. Novel self-assembled decavanadate clusters forming 1D molecular chains and 2D molecular arrays: [HMTA-H...H2O][HMTA-CH2OH][H3V10O28{Na(H2O)4}]*4H2O and [Na2(H2O)10] [H3V10O28 {Na(H2O)2}]*3H2O Crystal Engineering, 2000, 3, 237-250 |
| 9016149 | CIF | Br2 Co | P -3 m 1 | 3.728; 3.728; 6.169 90; 90; 120 | 74.25 | 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 |
| 9016150 | CIF | Cl O2 Pb1.5 Te0.5 | B m m b | 5.5649; 5.5565; 12.475 90; 90; 90 | 385.744 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; Thorne, B. Lead-tellurium oxysalts from Otto Mountain near Baker, California: VI. Telluroperite, Pb3Te4+O4Cl2, the Te analog of perite and nadorite American Mineralogist, 2010, 95, 1569-1573 |
| 9016151 | CIF | C Ca O3 | P m c n | 4.9683; 8.0196; 5.7989 90; 90; 90 | 231.05 | 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 = 297 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016152 | CIF | Ba O3 Ti | R 3 m :R | 4.0042; 4.0042; 4.0042 89.837; 89.837; 89.837 | 64.201 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 70 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9016153 | CIF | Mg O3 Si | P b c a | 18.105; 8.734; 5.1376 90; 90; 90 | 812.404 | 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 = 2.69(5) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9016154 | CIF | C Fe O3 | R -3 c :H | 4.3474; 4.3474; 12.534 90; 90; 120 | 205.154 | 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 P27-1, P = 55.0 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016155 | CIF | D4 Na O9 Si Ti2 | P 42/m c m | 7.88; 7.88; 11.953 90; 90; 90 | 742.214 | Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V. Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 20 K with neutron Chemistry of Materials, 2010, 22, 4222-4231 |
| 9016156 | CIF | Al4 Ca2 O17 Si4 | C 1 2/c 1 | 20.82; 9.35; 8.359 90; 78.86; 90 | 1596.56 | Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L. Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: T = 275 C American Mineralogist, 2012, 97, 1866-1873 |
| 9016157 | CIF | Al0.55 Ca2 Fe1.45 O5 | I 2 m b | 5.361; 14.5523; 5.5958 90; 90; 90 | 436.556 | 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 = 1.49 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9016160 | CIF | Cu3 H6 O11 V2 | C 1 2/m 1 | 10.61; 5.866; 7.208 90; 95.04; 90 | 446.879 | Basso, R.; Palenzona, A.; Zefiro, L. Crystal structure refinement of volborthite from Scrava mine (Eastern Liguria, Italy) Note: split O1 and O5 atoms Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 385-394 |
| 9016161 | CIF | C0.118 H3.224 Cr0.23 Mg0.77 O2.966 | R -3 m :H | 3.09552; 3.09552; 23.5042 90; 90; 120 | 195.049 | Mills, S. J.; Whitfield, P. S.; Wilson, S. A.; Woodhouse, J. N.; Dipple, G. M.; Raudsepp, M.; Francis, C. A. The crystal structure of stichtite, re-examination of barbertonite, and the nature of polytypism in MgCr hydrotalcites Note: 3R1 polytype of stichtite American Mineralogist, 2011, 96, 179-187 |
| 9016162 | CIF | As Cu H3 O5 | P -1 | 6.433; 8.093; 15.764 86.65; 84.35; 84.47 | 811.928 | Prencipe, M.; Pushcharovsky, D. Y.; Sarp, H.; Ferraris, G. Comparative crystal chemistry of geminite Cu[AsO3OH]H2O and related minerals Moscow University Geology Bulletin, 1996, 51, 51-58 |
| 9016163 | CIF | F0.24 H1.32 Mg4.7 O9.76 Si2 Ti0.3 | P 1 21/c 1 | 7.88; 4.726; 10.29 90; 109.04; 90 | 362.244 | Pekov, I. V.; Gerasimova, E. I.; Chukanov, N. V.; Kabalov, Y. K.; Zubkova, N. V.; Zadov, A. E.; Yapaskurt, V. O.; Gekimyants, V. M.; Pushcharovskii, D. Y. Hydroxylchondrodite Mg5(SiO4)2(OH)2: a new mineral of the humite group and its crystal structure Doklady Akademii Nauk, 2011, 436, 526-532 |
| 9016164 | CIF | Al Be3 Ca4 H3 O28 Si9 | C m c m | 23.1965; 4.9741; 19.4221 90; 90; 90 | 2240.96 | Armstrong, J. A.; Friis, H.; Lieb, A.; Finch, A. A.; Weller, M. T. Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals American Mineralogist, 2010, 95, 519-526 |
| 9016165 | CIF | Al2 Co O4 | F d -3 m :2 | 8.1047; 8.1047; 8.1047 90; 90; 90 | 532.367 | 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: CoAl100 American Mineralogist, 2012, 97, 1834-1840 |
| 9016167 | CIF | Ca Fe2 H16 Mg0.464 Mn O25 P4 Zn2.036 | P 1 21/c 1 | 6.3868; 21.26; 15.365 90; 90.564; 90 | 2086.21 | Kampf, A. R.; Mills, S. J.; Simmons, W. B.; Nizamoff, J. W.; Whitmore, R. W. Falsterite, Ca2MgMn2+2(Fe2+0.5Fe3+0.5)4Zn4(PO4)8(OH)4(H2O)14, a new secondary phosphate mineral from the Palermo No. 1 pegmatite, North Groton, New Hampshire American Mineralogist, 2012, 97, 496-502 |
| 9016168 | CIF | N2 O13 P4 Si | P -1 | 15.14; 7.684; 4.861 97.86; 96.74; 83.89 | 553.971 | Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C. Structure cristalline de (N H4)2 Si P4 O13: un nouvel exemple de silicium hexacoordine Acta Crystallographica, Section B, 1976, 32, 2957-2960 |
| 9016169 | CIF | Bi0.75 Pb0.125 Pt0.125 S0.796 Se0.026 | F m -3 m | 5.86; 5.865; 5.86 90; 90; 90 | 201.402 | Cook, N. J.; Wood, S. A.; Gebert, W.; Bernhardt, H. J.; Medenbach, O. Crerarite, a new Pt-Bi-Pb-S mineral from the Cu-Ni-PGE deposit at Lac Sheen, Abitibi-Temiscaminque, Quebec, Canada Neues Jahrbuch fur Mineralogie, Monatshefte, 1994, 1994, 567-575 |
| 9016171 | CIF | C O6 Pb2 S2 | P n m a | 16.343; 8.76; 4.592 90; 90; 90 | 657.412 | Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F. Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-02 Mineralogical Magazine, 2011, 75, 2721-2732 |
| 9016172 | CIF | Ag0.507 Au1.49 Te4 | P m a 2 | 16.59; 8.867; 4.4886 90; 90; 90 | 660.289 | Dye, M. D.; Smyth, J. R. The crystal structure and genesis of krennerite, Au3AgTe8 The Canadian Mineralogist, 2012, 50, 119-127 |
| 9016173 | CIF | Na Nb O3 | P 2 2 21 | 5.504; 5.568; 15.52 90; 90; 90 | 475.63 | Vousden, P. The structure of ferroelectric sodium niobate at room temperature Note: this is a possible polymorph of lueshite Acta Crystallographica, 1951, 4, 545-551 |
| 9016174 | CIF | Al3.42 B3 Ca0.01 Fe3.828 H3.6 Mg1.269 Na0.99 O31 Si6 Ti0.402 V0.021 | R 3 m :H | 16.073; 16.073; 7.306 90; 90; 120 | 1634.57 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Schorl 2672 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9016175 | CIF | Al1.61 Fe0.389 Mg1.001 O4 | F d -3 m :2 | 8.1481; 8.1481; 8.1481 90; 90; 90 | 540.965 | 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 = 46,161 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016176 | CIF | Al7.257 B3 Ca0.696 F0.668 Fe0.03 H3.332 Li1.68 Mn0.033 Na0.228 O30.332 Pb0.01 Si6 | R 3 m :H | 15.8248; 15.8248; 7.0993 90; 90; 120 | 1539.65 | 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: L15, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016177 | CIF | As1.079 H6.74 O7.87 Zn2 | P 1 21/c 1 | 11.793; 9.1138; 6.8265 90; 103.859; 90 | 712.346 | Cooper, M. A.; Abdu, Y. A.; Ball, N. A.; Hawthorne, F. C.; Back, M. E.; Tait, K. T.; Schluter, J.; Malcherek, T.; Pohl, D.; Gebhard, G. Ianbruceite, ideally [Zn2(OH)(H2O)(AsO4)](H2O)2, a new arsenate mineral from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure Mineralogical Magazine, 2012, 76, 1119-1131 |
| 9016179 | CIF | C Ca O3 | R -3 c :H | 4.976; 4.976; 17.227 90; 90; 120 | 369.404 | 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 |
| 9016180 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.2004; 5.5529; 10.0423 90; 90; 90 | 903.397 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = .0001 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9016181 | CIF | C0.49 Na4 O7.51 S1.51 | P m n m :2 | 5.198; 9.255; 7.085 90; 90; 90 | 340.842 | Giuseppetti, G.; Mazzi, F.; Tadini, C. The crystal structure of synthetic burkeite Sample C Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 203-221 |
| 9016182 | CIF | C Fe3 | P b n m | 4.5144; 5.0787; 6.7297 90; 90; 90 | 154.294 | Lipson, H.; Petch, N. J. The crystal structure of cementite, Fe3C The Journal of the Iron and Steel Institute, 1940, 142, 95-103 |
| 9016184 | CIF | Fe | F m -3 m | 3.504; 3.504; 3.504 90; 90; 90 | 43.022 | 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 = 20.64 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9016186 | CIF | Al2 Ge H2 O6 | P n m a | 9.107; 8.551; 4.804 90; 90; 90 | 374.106 | Marler, B.; Wunder, B. Crystal structure of dialuminium dihydroxogermanate, Al~2~GeO~4~(OH)~2~ Zeitschrift für Kristallographie - New Crystal Structures, 1998, 213, 3-3 |
| 9016187 | CIF | Fe5 Si3 | P 63/m c m | 6.7031; 6.7031; 4.676 90; 90; 120 | 181.952 | 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 = 7.5 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9016189 | CIF | Ca O3 Sn | P b n m | 5.4448; 5.60887; 7.78906 90; 90; 90 | 237.871 | 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 = 5.98 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9016190 | CIF | Ti | P 63/m m c | 2.95; 2.95; 4.68 90; 90; 120 | 35.271 | Glavatskikh, S. F.; Gorshkov, A. I. Natural analog of alpha-titanium in the exhalation products of the Great Tolbachik Fissure Eruption (Kamchatka) Doklady Akademii Nauk SSSR, 1992, 327, 123-127 |
| 9016195 | CIF | Co1.5 Cs H4 O26 Se2 U4 | C 1 2/c 1 | 8.744; 14.38; 17.901 90; 103.654; 90 | 2187.24 | 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 2 The Canadian Mineralogist, 2012, 50, 147-157 |
| 9016197 | CIF | O6 P Rb V | P b c a | 6.8182; 9.291; 17.631 90; 90; 90 | 1116.89 | 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 1000081 European Journal of Solid State and Inorganic Chemistry, 1988, 25, 599-607 |
| 9016199 | CIF | Al2.09 Ca2 Fe0.91 H O13 Si3 | P 1 21/m 1 | 8.8902; 5.6366; 10.16 90; 115.432; 90 | 459.786 | 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=1.0, run 41 American Mineralogist, 2010, 95, 1237-1246 |
| 9016200 | CIF | C Ca O3 | R -3 c :H | 4.9757; 4.9757; 17.273 90; 90; 120 | 370.345 | 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 = 434 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016202 | CIF | Ba Gd2 O10 Si3 | P 1 21/m 1 | 5.435; 12.241; 6.932 90; 106.26; 90 | 442.738 | Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E. Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit European Journal of Mineralogy, 2010, 22, 245-258 |
| 9016203 | CIF | As2.889 Ca2.01 Mg0.304 Mn1.696 Na0.99 O12 | I a -3 d | 12.4929; 12.4929; 12.4929 90; 90; 90 | 1949.8 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
| 9016204 | CIF | H O5 P Zn2 | P -1 | 5.499; 5.654; 6.465 102.85; 102.77; 86.83 | 191.12 | Fanfani, L.; Zanazzi, P. F. Dati strutturali sulla tarbuttite Periodico di Mineralogia, 1965, 34, 539-545 |
| 9016206 | CIF | B11 H7 O22 Sr2 | P 1 21 1 | 6.7; 20.8; 6.6 90; 119.25; 90 | 802.501 | Rumanova, I. M.; Gandymov, O. The crystal structure of the natural strontium borate, p-veatchite, Sr2[B5O8(OH)]2*B(OH)3*H2O Note: polytype veatchite-1M, formally known as veatchite-p Soviet Physics Crystallography, 1971, 16, 75-81 |
| 9016209 | CIF | C2 H2 Ba0.09 Ca0.19 Ce0.11 Dy0.02 Er0.01 Gd0.02 La0.09 Na0.5 O7 Pr0.01 Sr0.71 Y0.24 Yb0.01 | R 3 m :H | 5.211; 5.211; 18.357 90; 90; 120 | 431.692 | 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 |
| 9016211 | CIF | As0.404 O14 P1.594 Pb3 Te Zn3 | P 3 2 1 | 8.392; 8.392; 5.204 90; 90; 120 | 317.394 | Mills, S. J.; Kampf, A. R.; Kolitsch, U.; Housley, R. M.; Raudsepp, M. The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 American Mineralogist, 2010, 95, 933-938 |
| 9016212 | CIF | Fe1.1 Mg0.75 Mn0.15 O4 Si | P b n m | 4.798; 10.39; 6.055 90; 90; 90 | 301.849 | Hazen, R. M. Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 23 C, P = 1 atm , Evacuated silica capillary American Mineralogist, 1977, 62, 286-295 |
| 9016213 | CIF | Cr2 O3 | R -3 c :H | 4.953; 4.953; 13.5884 90; 90; 120 | 288.693 | 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 = 0 GPa, data from Ovsyannikov and Dubrovinsky (2011) American Mineralogist, 2012, 97, 1764-1770 |
| 9016214 | CIF | Pb10.15 S22 Sb7.85 | P 1 21/a 1 | 21.554; 23.454; 8.079 90; 100.76; 90 | 4012.35 | Ventruti, G.; Stasi, F.; Pinto, D.; Vurro, F.; Renna, M. The plumose boulangerite from Bottino, Apuan Alps, Italy: Crystal structure, OD character and twinning Note: MDO1 polytype The Canadian Mineralogist, 2012, 50, 181-199 |
| 9016215 | CIF | C Ca O3 | P b n m | 4.13; 7.15; 8.48 90; 90; 90 | 250.41 | Meyer, H. J. Uber Vaterit und seine Struktur Angewandte Chemie, 1959, 71, 678-679 |
| 9016216 | CIF | Al7.767 B3 F0.57 H6 Mn1.233 Na0.666 O30.43 Si6 | R 3 m :H | 15.951; 15.951; 7.138 90; 90; 120 | 1572.83 | Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample mnelb3 American Mineralogist, 2012, 97, 1402-1416 |
| 9016218 | CIF | Al0.04 As2.16 Ba0.468 Fe3.96 H9.04 K0.039 Na0.021 O18.52 P0.84 | P -4 3 m | 7.942; 7.942; 7.942 90; 90; 90 | 500.945 | Hager, S. L.; Leverett, P.; Williams, P. A.; Mills, S. J.; Hibbs, D. E.; Raudsepp, M.; Kampf, A. R.; Birch, W. D. The single-crystal X-ray structures of bariopharmacosiderite-C, bariopharmacosiderite-Q and natropharmacosiderite Note: sample Bariopharmacosiderite-C The Canadian Mineralogist, 2010, 48, 1477-1485 |
| 9016220 | CIF | Ca H7 K O13 Si4 | P 1 21/c 1 | 6.4897; 6.9969; 26.714 90; 94.597; 90 | 1209.12 | Zubkova, N. V.; Filinchuk, Y. E.; Pekov, I. V.; Pushcharovsky, D. Y.; Gobechiya, E. R. Crystal structures of shlykovite and cryptophyllite: comparative crystal chemistry of phyllosilicate minerals of the mountainite family European Journal of Mineralogy, 2010, 22, 547-555 |
| 9016221 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.5689; 6.5689; 9.6804 90; 90; 120 | 361.751 | 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 = 3.56 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9016223 | CIF | C Ca O3 | P m c n | 4.9624; 7.9989; 5.7714 90; 90; 90 | 229.088 | 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 = 175 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016224 | CIF | Na Nb0.95 O2.975 Ti0.05 | P b m a | 5.5528; 15.5597; 5.514 90; 90; 90 | 476.409 | 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 = 0.05 Chemistry of Materials, 2003, 15, 1872-1878 |
| 9016225 | CIF | O2 Si | P 1 21/c 1 | 8.011; 4.544; 8.89 90; 121; 90 | 277.391 | 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 = 4.9 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9016226 | CIF | Fe1.74 K0.81 Mn0.26 Na0.35 O30 Si12 Zn2.79 | P 6/m c c | 10.12; 10.12; 14.298 90; 90; 120 | 1268.14 | Bojar, H. P.; Walter, F.; Hauzenberger, C.; Postl, W. Klochite, K_2(Fe2+Fe3+)Zn3[Si12O30], a new milarite-type mineral species from the Kloch volcano, Styria, Austria The Canadian Mineralogist, 2011, 49, 1115-1124 |
| 9016227 | CIF | Ni0.493 Ti0.507 | P m -3 m | 3.01302; 3.01302; 3.01302 90; 90; 90 | 27.353 | 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: Aged Powder Diffraction, 2009, 24, 315-326 |
| 9016228 | CIF | Cu3 H6 O11 V2 | I 1 2/a 1 | 10.6418; 5.8485; 14.4157 90; 95.443; 90 | 893.17 | Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z. Orbital Switching in a Frustrated Magnet Nature Communications, 2012, 3, 860-865 |
| 9016230 | CIF | H4 Na2 O11 Si2 Ti2 | P 1 | 5.383; 7.053; 12.17 93.16; 107.82; 90.06 | 439.135 | Khalilov, A. D. Refinement of the crystal structure of murmanite and new data on its crystal-chemical characteristics Mineralogiceskij Zhurnal, 1989, 11, 19-27 |
| 9016232 | CIF | C Ca O3 | P m c n | 4.9767; 8.0486; 5.8396 90; 90; 90 | 233.908 | 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 |
| 9016233 | CIF | Mg48 O147 Si34 | P 1 | 43.5; 9.23; 7.27 90; 92; 84.75 | 2904.91 | Dodony, I.; Posfai, M.; Buseck, P. R. Revised structure models for antigorite: An HRTEM study Note: n = 17 American Mineralogist, 2002, 87, 1443-1457 |
| 9016235 | CIF | Ag0.331 Bi3.875 Cu0.203 Pb3.32 S10 Sb0.447 | P n m a | 23.652; 4.0539; 19.095 90; 90; 90 | 1830.88 | Topa, D.; Makovicky, E. The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 3 The Canadian Mineralogist, 2010, 48, 1081-1107 |
| 9016236 | CIF | Ba0.02 Ca3.58 Ce0.46 Dy0.02 F2.82 Gd0.02 La0.18 Na2.2 Nb0.12 Nd0.18 O15.18 Pr0.06 Si4 Sm0.04 Sr0.14 Ti0.85 Y0.12 Zr0.03 | P 1 21/c 1 | 7.4263; 5.6774; 18.8261 90; 101.39; 90 | 778.115 | 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 YuksFe Mineralogical Magazine, 2011, 75, 2755-2774 |
| 9016237 | CIF | Co0.008 Cu0.006 Fe0.316 Ir0.202 Ni0.421 Os0.003 Pt0.032 Rh0.006 Ru0.004 | P 63/m m c | 2.6939; 2.6939; 4.2732 90; 90; 120 | 26.856 | McDonald, A. M.; Proenza, J. A.; Zaccarini, F.; Rudashevsky, N. S.; Cabri, L. J.; Stanley, C. J.; Rudashevsky, V. N.; Melgarejo, J. C.; Lewis, J. F.; Longo, F.; Bakker, R. J. Garutiite, (Ni,Fe,Ir), a new hexagonal polymorph of native Ni from Loma Peguera, Dominican Republic European Journal of Mineralogy, 2010, 22, 293-304 |
| 9016238 | CIF | Al1.608 Fe0.39 Mg O4 | F d -3 m :2 | 8.1463; 8.1463; 8.1463 90; 90; 90 | 540.606 | 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 = 960 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016239 | CIF | Al2 H4 O10 Si2 Sr | P 1 21/m 1 | 5.4231; 13.2761; 5.8583 90; 124.42; 90 | 347.936 | 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 #Pt100 American Mineralogist, 2010, 95, 724-735 |
| 9016240 | CIF | C Ca O3 | P m c n | 4.9664; 8.0126; 5.7898 90; 90; 90 | 230.398 | 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 = 258 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016241 | CIF | Fe0.812 H1.554 K Mg2.188 O12 Si4 | C 1 2/m 1 | 5.34; 9.2376; 10.2414 90; 100.014; 90 | 497.499 | 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 LC6_R29 Physics and Chemistry of Minerals, 2008, 35, 163-174 |
| 9016242 | CIF | Al1.99 Ca2 Cr0.42 Fe0.09 H Mg0.48 Mn0.02 O14 Si3 | C 1 2/m 1 | 19.174; 5.9194; 8.83 90; 97.497; 90 | 993.625 | Hamada, M.; Akasaka, M.; Seto, S.; Makino, K. Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1016 American Mineralogist, 2010, 95, 1294-1304 |
| 9016243 | CIF | Al0.5 Ca0.6 Fe La3.4 Mn0.5 Nb0.5 O22 Si4 Ti2.5 | P 1 21/a 1 | 13.668; 5.6601; 11.743 90; 113.64; 90 | 832.229 | Chukanov, N. V.; Blass, G.; Pekov, I. V.; Belakovskiy, D. I.; Van, K. V.; Rastsvetaeva, R. K.; Aksenov, S. M. Perrierite-(La) (La,Ce,Ca)4Fe2+(Ti,Fe)4(Si2O7)2O8 - a new mineral species from volcanic region Eifel, Germany Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2011, 140, 34-44 |
| 9016244 | CIF | Cl6 Fe K3 Na | R -3 c :R | 8.3376; 8.3376; 8.3376 92.29; 92.29; 92.29 | 578.166 | Beattie, J. K.; Moore, C. J. Crystal and molecular structures of rinneite, sodium tripotassium hexachloroferrate(II), and hexaamminecobalt(III) hexachloroferrate(III). Comparison of iron-chloride distances in hexachloroferrates(II) and -(III) Inorganic Chemistry, 1982, 21, 1292-1295 |
| 9016246 | CIF | Ba1.5 Ca0.4 F1.6 Fe0.6 K0.3 Mg0.8 Mn0.2 Na1.9 Nb0.1 O16.4 Si4 Sr0.2 Ti2 | C 1 2/m 1 | 19.905; 7.098; 5.405 90; 96.349; 90 | 758.966 | Chukanov, N. V.; Pekov, I. V.; Rastsvetaeva, R. K.; Aksenov, S. M.; Zadov, A. E.; Van, K. V.; Blass, G.; Schuller, W.; Ternes, B. Lileyite, Ba2(Na,Fe,Ca)3MgTi2(Si2O7)2O2F2, a new lamprophyllite-group mineral from the Eifel volcanic area, Germany European Journal of Mineralogy, 2012, 24, 181-188 |
| 9016247 | CIF | Ca2 Fe2 O5 | P n m a | 5.3035; 14.4389; 5.4979 90; 90; 90 | 421.011 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 9.73 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9016248 | CIF | Li Nb O3 | R -3 :H | 5.212; 5.212; 14.356 90; 90; 120 | 337.733 | Kumada, N.; Kinomura, N.; Muto, F. Crystal structures of ilmenite type LiNbO~3~ and NaNbO~3~ Journal of the Ceramic Society of Japan, 1990, 98, 384-388 |
| 9016249 | CIF | O2 Si | P 41 21 2 | 4.599; 4.599; 6.13 90; 90; 90 | 129.654 | 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 = 9.1 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9016250 | CIF | Al7.257 B3 Ca0.696 F0.666 Fe0.03 H3.333 Li1.68 Mn0.033 Na0.228 O30.333 Pb0.01 Si6 | R 3 m :H | 15.8248; 15.8248; 7.0993 90; 90; 120 | 1539.65 | 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: L15, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016252 | CIF | Ag0.985 Cu0.005 | F m -3 m | 4.084; 4.084; 4.084 90; 90; 90 | 68.117 | Novgorodova, M. I.; Gorshkov, A. I.; Mokhov, A. V. Native silver and its new structural modifications Note: Sample DV-300 International Geology Review, 1981, 23, 485-494 |
| 9016253 | CIF | As3 Fe4 H10.8 K0.39 O19.1 | P -4 3 m | 7.9587; 7.9587; 7.9587 90; 90; 90 | 504.111 | Mills, S. J.; Kampf, A. R.; Williams, P. A.; Leverett, P.; Poirier, G.; Raudsepp, M.; Francis, C. A. Hydroniumpharmacosiderite, a new member of the pharmacosiderite supergroup from Cornwall, UK: structure and description Mineralogical Magazine, 2010, 74, 863-869 |
| 9016254 | CIF | Al5.295 B3 Ca0.06 F0.3 Fe3.705 H3.23 Na0.94 O30.7 Si6 | R 3 m :H | 16.0393; 16.0393; 7.2536 90; 90; 120 | 1616.05 | Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls1 American Mineralogist, 2012, 97, 1402-1416 |
| 9016256 | CIF | Ba0.3 Ca0.7 Fe0.5 H18 K1.2 Mg0.15 Na0.15 O36 Si13 | P n m 21 | 6.538; 6.975; 37.26 90; 90; 90 | 1699.15 | Rastvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V. Crystal structure of gunterblassite, a new mineral with a triple tetrahedral layer Note: tetrahedral sites, Si8.83 Al3.06, but occupancies were not reported Doklady Chemistry, 2012, 442, 57-62 |
| 9016257 | CIF | Mg O3 Si | P b c a | 18.019; 8.668; 5.1073 90; 90; 90 | 797.703 | 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 = 5.21(7) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9016258 | CIF | As Ca Cu0.87 H Mg0.13 O5 | P 21 21 21 | 7.429; 5.852; 9.215 90; 90; 90 | 400.618 | 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 |
| 9016259 | CIF | C H2 Cl6 O4 Pb4 | P 1 21/m 1 | 4.2043; 9.199; 16.663 90; 91.82; 90 | 644.122 | Kutzke, H.; Klapper, H.; Merlino, S.; Pasero, M.; Perchiazzi, N.; Eggert, G. The crystal structure of barstowite, Pb4Cl6(CO3)*H2O, determined on crystals from Etruscan slags and from a Late-Hellenistic shipwreck Zeitschrift fur Kristallographie, 2000, 215, 110-113 |
| 9016260 | CIF | Mn5 Si3 | P 63/m c m | 6.91; 6.91; 4.814 90; 90; 120 | 199.064 | Aronsson, B. A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2 Acta Chemica Scandinavica, 1960, 14, 1414-1418 |
| 9016263 | CIF | Ba Be F O4 P | F 1 | 6.889; 16.814; 6.902 90.01; 89.99; 90.32 | 799.458 | Simonov, M. A.; Egorov-Tismenko Y K; Belov, N. V. Use of modern X-ray equipment to solve fine problems of structural mineralogy by the example of the crystal structure of babefphite BaBe(PO4)F Soviet Physics Crystallography, 1980, 25, 28-31 |
| 9016264 | CIF | C H Er O4 | P 21 21 21 | 6.9386; 4.7963; 8.4863 90; 90; 90 | 282.421 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9016265 | CIF | Mg O3 Si | P b c a | 17.897; 8.575; 5.0664 90; 90; 90 | 777.524 | 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 = 9.36(5) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9016266 | CIF | Ca3.48 O67.73 Si24 | I m m a | 20.3266; 23.876; 12.8252 90; 90; 90 | 6224.3 | Arletti, R.; Quartieri, S.; Vezzalini, G. Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: A case of high-pressure-induced over hydration, Sample: P = 0.0 GPa Note: assignment of site chemistry does not match chemical analysis American Mineralogist, 2010, 95, 1247-1256 |
| 9016267 | CIF | Al1.61 Fe0.388 Mg O4 | F d -3 m :2 | 8.1475; 8.1475; 8.1475 90; 90; 90 | 540.845 | 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 = 67,020 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016268 | CIF | Al7.728 B3 F0.14 H6 Mn1.272 Na0.674 O30.86 Si6 | R 3 m :H | 15.852; 15.852; 7.148 90; 90; 120 | 1555.55 | Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample mnelb3h, heated in air at 750 C for 30 h American Mineralogist, 2012, 97, 1402-1416 |
| 9016270 | CIF | Al Ge2 Li O6 | P 1 21/n 1 | 9.8976; 8.3985; 5.402 90; 110.64; 90 | 420.219 | Redhammer, G. J.; Nestola, F.; Miletich, R. Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LAF_L_tr American Mineralogist, 2012, 97, 1213-1218 |
| 9016271 | CIF | Al K0.987 O4 Si | P 3 1 c | 5.1588; 5.1588; 8.7383 90; 90; 120 | 201.398 | 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 = 200 K American Mineralogist, 2010, 95, 1027-1034 |
| 9016273 | CIF | Al Fe3 H36 O42 S6 | P -3 1 c | 10.91; 10.91; 17.0625 90; 90; 120 | 1758.83 | Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I. Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals Note: sample vulc1 The Canadian Mineralogist, 2010, 48, 323-333 |
| 9016275 | CIF | Ca0.16 Fe0.12 Mn0.16 Na6.42 O18 Si6 Sn0.04 Ti0.01 U0.02 Y0.14 Zr0.67 | R -3 m :H | 10.345; 10.345; 13.103 90; 90; 120 | 1214.4 | Grey, I. E.; Macrae, C. M.; Mumme, W. G.; Pring, A. Townendite, Na8ZrSi6O18, a new uranium-bearing lovozerite group mineral from the Ilimaussaq alkaline complex, Southern Greenland American Mineralogist, 2010, 95, 646-650 |
| 9016276 | CIF | Al7.194 B3 Ca0.641 F0.696 Fe0.021 H3.304 Li1.605 Mn0.18 Na0.288 O30.304 Pb0.023 Si6 | R 3 m :H | 15.8418; 15.8418; 7.1044 90; 90; 120 | 1544.07 | 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: L6, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016278 | CIF | Al0.32 O2 Si0.68 | R -3 m :R | 9.4; 9.4; 9.4 94.3; 94.3; 94.3 | 823.197 | Dent, L. S.; Smith, J. V. Crystal structure of chabazite, a molecular sieve Note: extra-framework cations not located Nature, 1958, 181, 1794-1796 |
| 9016283 | CIF | Ca5 O12 P3 S0.5 | P -3 | 9.4619; 9.4619; 6.8342 90; 90; 120 | 529.877 | 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 |
| 9016284 | CIF | Ca5.1 H3.92 Na3.62 O43.96 Si16 | P -1 | 9.576; 9.577; 16.438 85.85; 75.23; 60.142 | 1261.54 | Yakovenchuk, V. N.; Ivanyuk, G. Y.; Pakhomovsky, Y. A.; Selivanova, E. A.; Mikhailova, J. A.; Krivovichev, S. V.; Zolotarev, A. A.; Zalkind, O. A. Ellingsenite, Na5Ca6Si18O38(OH)13*6H2O, a new martinite-related mineral species from phonolite of the Aris alkaline complex, Namibia Note: This is reported as an incomplete structure The Canadian Mineralogist, 2011, 49, 1165-1173 |
| 9016285 | CIF | H5 O15 Si4 Sr3 Ti | P 1 21/m 1 | 10.958; 7.778; 7.799 90; 100.9; 90 | 652.727 | Mizota, T.; Komatsu, M.; Chihara, K. On the crystal structure of Sr3TiSi4O12(OH)*2H2O, a new mineral Note: paper is missing data for O8 Mineralogical Journal, 1973, 7, 302-305 |
| 9016286 | CIF | As3 Co | I m -3 | 8.2055; 8.2055; 8.2055 90; 90; 90 | 552.478 | 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 |
| 9016287 | CIF | Ca3 Mg4 O24 S6 | P 63 | 16.581; 16.581; 7.348 90; 90; 120 | 1749.53 | Krivovichev, S. V.; Shcherbakova, E. P.; Nishanbaev, T. P. The crystal structure of beta-CaMg2(SO4)3, a mineral phase from coal dumps of the Chelyabinsk coal basin, Russia The Canadian Mineralogist, 2010, 48, 1469-1475 |
| 9016288 | CIF | C1.38 H11.58 Ba0.27 Ca17.1 Ce3.06 Cl0.93 Fe6.3 Hf0.18 K4.32 Mn9.3 Na39.02 Nb2.34 O270.63 Si86.85 Sr3.15 Zr8.82 | R 3 m :H | 14.281; 14.281; 30.243 90; 90; 120 | 5341.62 | Rastsvetaeva, R. K.; Rozenberg, K. A.; Khomyakov, A. P. Crystal structure of a K analogue of Kentbrooksite Doklady Chemistry, 2005, 403, 148-151 |
| 9016289 | CIF | Fe1.1 Mg0.75 Mn0.15 O4 Si | P b n m | 4.838; 10.49; 6.136 90; 90; 90 | 311.406 | Hazen, R. M. Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 900 deg C,P = 1 atm American Mineralogist, 1977, 62, 286-295 |
| 9016290 | CIF | Cd0.002 Cu0.005 Fe0.023 In0.002 S Zn0.968 | F -4 3 m | 5.4159; 5.4159; 5.4159 90; 90; 90 | 158.859 | Nitta, E.; Kimata, M.; Hoshino, M.; Echigo, T.; Hamasaki, S.; Nishida, N.; Shimizu, M.; Akasak, T. Crystal chemistry of ZnS minerals formed as high-temperature volcanic sublimates: matraite identical with sphalerite Journal of Mineralogical and Petrological Sciences, 2008, 103, 145-151 |
| 9016292 | CIF | Fe0.07 Mn0.18 Nb0.42 O4 Sc0.5 Sn0.2 Ta0.58 Ti0.05 | P 1 2/c 1 | 4.784; 5.693; 5.12 90; 91.15; 90 | 139.417 | Kolitsch, U.; Kristiansen, R.; Raade, G.; Tillmanns, E. Heftetjernite, a new scandium mineral from the Heftetjern pegmatite, Tordal, Norway European Journal of Mineralogy, 2010, 22, 309-316 |
| 9016293 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7547; 4.7547; 9.2893 90; 90; 90 | 210.005 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q1, treated at 600 C for 5 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9016294 | CIF | As0.04 B3 Ca2.53 F14 Fe0.83 Mn0.93 Na1.17 Nd7.53 O34 P0.7 Pb0.03 Si6.26 Th0.09 Ti0.02 Y3.72 | R 3 m :H | 10.7527; 10.7527; 27.4002 90; 90; 120 | 2743.59 | Raade, G.; Grice, J. D.; Erambert, M.; Kristiansson, P.; Witzke, T. Proshchenkoite-(Y) from Russia - a new mineral species in the vicanite group: Descriptive data and crystal structure Mineralogical Magazine, 2008, 72, 1071-1082 |
| 9016295 | CIF | Na5 O15 P3 V2 | C 1 m 1 | 6.3089; 20.10379; 5.1172 90; 91.134; 90 | 648.902 | Le Bail, A. On the structure of Na5V2P3O14*(H2O) _cod_database_code 1000145 Journal of Solid State Chemistry, 1993, 102, 281-282 |
| 9016296 | CIF | As3 Ba0.108 Fe4 H11.96 K0.138 Na0.75 O19.98 | P -4 3 m | 7.928; 7.928; 7.928 90; 90; 90 | 498.3 | Hager, S. L.; Leverett, P.; Williams, P. A.; Mills, S. J.; Hibbs, D. E.; Raudsepp, M.; Kampf, A. R.; Birch, W. D. The single-crystal X-ray structures of bariopharmacosiderite-C, bariopharmacosiderite-Q and natropharmacosiderite The Canadian Mineralogist, 2010, 48, 1477-1485 |
| 9016297 | CIF | Be O | P 63 m c | 2.6832; 2.6832; 4.3524 90; 90; 120 | 27.137 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 3.8 GPa Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9016300 | CIF | Al4 Ca0.725 H1.98 Li0.105 Mg0.105 Na0.21 O12 Si2 | C 1 c 1 | 5.108; 8.844; 19.156 90; 95.48; 90 | 861.42 | Joswig, W.; Takeuchi, Y.; Fuess, H. Neutron-diffraction study on the orientation of hydroxyl groups in margarite Zeitschrift fur Kristallographie, 1983, 165, 295-303 |
| 9016301 | CIF | Fe O4 Sb2 | P 1 21/c 1 | 5.7792; 8.3134; 8.4545 90; 91.879; 90 | 405.976 | 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 = 4.2 GPa, this is denoted as Phase II Journal of Physics: Condensed Matter, 2006, 18, S1021-S1037 |
| 9016303 | CIF | H6 Mg3.864 O19 Si6 | P n c n | 13.3317; 27.049; 5.2694 90; 90; 90 | 1900.19 | Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G Variability in sepiolite: Diffraction studies Note: Sample GRA225 Note: T = 225 C American Mineralogist, 2011, 96, 1443-1454 |
| 9016304 | CIF | C H K O3 | P 1 21/a 1 | 15.1538; 5.6186; 3.6868 90; 104.356; 90 | 304.104 | 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 |
| 9016306 | CIF | Al3.6 H20.8 O34.4 Si8.4 Sr2.03 | R -3 m :R | 9.416; 9.416; 9.416 93.87; 93.87; 93.87 | 828.85 | Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F. Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Sr-exchanged Zeolites, 1982, 2, 303-309 |
| 9016309 | CIF | As3 Fe4 O21.5 | P -4 3 m | 7.982; 7.982; 7.982 90; 90; 90 | 508.552 | 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 |
| 9016313 | CIF | Al2.1 Ca2 Fe0.12 H Mn0.78 O13 Si3 | P 1 21/m 1 | 8.8831; 5.6687; 10.1715 90; 115.45; 90 | 462.489 | 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=0.25, run 38 American Mineralogist, 2010, 95, 1237-1246 |
| 9016314 | CIF | Al0.56 Fe1.44 H14 Mn O16 P2 | P -1 | 10.277; 9.826; 7.205 90.077; 98.865; 118.442 | 629.77 | Grey, I. E.; Macrae, C. M.; Keck, E.; Birch, W. D. Aluminium-bearing strunzite derived from jahnsite at the Hagendorf-Sud pegmatite, Germany Mineralogical Magazine, 2012, 76, 1165-1174 |
| 9016315 | CIF | Ag0.32 Bi4 Cu1.68 Pb Se8 | P 1 21/m 1 | 12.952; 4.1523; 15.155 90; 108.931; 90 | 770.959 | Topa, D.; Makovicky, E.; Sejkora, J.; Dittrich, H. The crystal structure of watkinsonite, Cu2PbBi4Se8, from the Zalesi uranium deposit, Czech Republic The Canadian Mineralogist, 2010, 48, 1109-1118 |
| 9016316 | CIF | Al1.61 Fe0.388 Mg O4 | F d -3 m :2 | 8.1468; 8.1468; 8.1468 90; 90; 90 | 540.706 | 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 = 60 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016317 | CIF | Ca4.974 Cl0.06 F0.76 H0.18 Na0.026 O12.18 P2.844 S0.066 Si0.09 | P 63/m | 9.3687; 9.3687; 6.8739 90; 90; 120 | 522.507 | Baikie, T.; Schreyer, M. K.; Wong, C. L.; Pramana, S. S.; Klooster, W. T.; Ferraris, C.; McIntyre, G. J.; White, T. J. A multi-domain gem-grade Brazilian apatite Note: single-crystal neutron at T = 130 K American Mineralogist, 2012, 97, 1574-1581 |
| 9016320 | CIF | Al1.614 Ca3 Fe1.386 O12 Sn1.362 Ti0.638 | I a -3 d | 12.524; 12.524; 12.524 90; 90; 90 | 1964.4 | Galuskina, I. O.; Galuskin, E. V.; Armbruster, T.; Lazic, B.; Dzierzanowski, P.; Gazeev, V. M.; Prusik, K.; Pertsev, N. N.; Winiarski, A.; Zadov, A. E.; Wrzalik, R.; Gurbanov, A. G. Bitikleite-(SnAl) and bitikleite-(ZrFe): New garnets from xenoliths of the Upper Chegem volcanic structure, Kabardino-Balkaria, Northern Caucasus, Russia American Mineralogist, 2010, 95, 959-967 |
| 9016323 | CIF | C H2 Cu O10 Pb3 Te | P c a 21 | 10.6522; 9.163; 9.6011 90; 90; 90 | 937.126 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J. Lead-tellurium oxysalts from Otto Mountain near Baker, California: IX. Agaite, Pb3Cu2+Te6+O5(OH)2(CO3), a new mineral with CuO5-TeO6 polyhedral sheets American Mineralogist, 2013, 98, 512-517 |
| 9016324 | CIF | Ag2.33 Bi4.612 Pb2.058 S10 | C m c m | 4.084; 13.453; 33.932 90; 90; 90 | 1864.29 | Topa, D.; Makovicky, E.; Schimper, H. J.; Dittrich, H. The crystal structure of a synthetic orthorhombic N = 8 member of the lillianite homologous series The Canadian Mineralogist, 2010, 48, 1127-1135 |
| 9016325 | CIF | H8 O10 P U | P 4/n c c :2 | 6.995; 6.995; 17.491 90; 90; 90 | 855.835 | Morosin, B. Hydrogen uranyl phosphate tetrahydrate, a hydrogen ion solid electrolyte Acta Crystallographica, Section B, 1978, 34, 3732-3734 |
| 9016326 | CIF | Cu O | C 1 c 1 | 4.6927; 3.4283; 5.137 90; 99.546; 90 | 81.5 | Asbrink, S.; Waskowska, A. CuO: x-ray single-crystal structure determination at 196 K and room temperature Note: T = room temperature Journal of Physics: Condensed Matter, 1991, 3, 8173-8180 |
| 9016327 | CIF | Cr2 O3 | R -3 c :H | 4.953; 4.953; 13.578 90; 90; 120 | 288.472 | Belokoneva, E. L.; Shcherbakova, Y. K. Electron density in synthetic eskolaite Cr2O3 with a corundum structure and its relation to antiferromagnetic properties Russian Journal of Inorganic Chemistry, 2003, 48, 861-869 |
| 9016328 | CIF | Al1.609 Fe0.391 Mg O4 | F d -3 m :2 | 8.147; 8.147; 8.147 90; 90; 90 | 540.746 | 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 = 3 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016329 | CIF | Fe | F m -3 m | 3.48; 3.48; 3.48 90; 90; 90 | 42.144 | 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 = 25.01 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9016330 | CIF | H8 Mg O12 P2 Zr | P -1 | 5.3049; 9.3372; 9.6282 97.348; 91.534; 90.512 | 472.79 | Hawthorne, F. C.; Simmons, W. B. The crystal structure of zigrasite, MgZr(PO4)2(H2O)4, a heteropolyhedral framework structure Mineralogical Magazine, 2010, 74, 567-575 |
| 9016331 | CIF | C H0.218 Ca7 O15.109 Si3 | P 1 21/c 1 | 18.7872; 6.7244; 10.4673 90; 90.788; 90 | 1322.24 | Lazic, B.; Armbruster, T.; Savelyeva, V. B.; Zadov, A. E.; Pertsev, N. N.; Dzierzanowski, P. Galuskinite, Ca7(SiO4)3(CO3), a new skarn mineral from the Birkhin gabbro massif, Eastern Siberia, Russia Mineralogical Magazine, 2011, 75, 2631-2648 |
| 9016333 | CIF | O6 Ta Ti Yb | P b c n | 14.5478; 5.5289; 5.1683 90; 90; 90 | 415.704 | 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 |
| 9016335 | CIF | Al0.6 K1.26 Na2.22 Nb1.29 O31 Ta9.11 | C 2 2 2 | 17.224; 17.687; 3.9361 90; 90; 90 | 1199.1 | Atencio, D.; Contreira, R. R.; Mills, S. J.; Coutinho, J. M. V.; Honorato, S. B.; Ayala, A. P.; Ellena, J.; De Andrade, M. B. Rankamaite from the Urubu pegmatite, Itinga, Minas Gerais, Brazil: Crystal chemistry and Rietveld refinement Note: Identification of OH not reported American Mineralogist, 2011, 96, 1455-1460 |
| 9016336 | CIF | Al1.459 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 550 C Annealing time = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016338 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9579; 7.9595; 5.7328 90; 90; 90 | 226.23 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 265 K American Mineralogist, 2012, 97, 707-712 |
| 9016341 | CIF | As4 Ca Cu4 H22 O26 | P -1 | 6.439; 7.999; 10.849 85.78; 81.22; 85.05 | 549.139 | Sejkora, J.; Plasil, J.; Veselovsky, F.; Cisarova, I.; Hlousek, J. Ondrusite, CaCu4(AsO4)2(AsO3OH)2*10H2O, a new mineral species from the Jachymov ore district, Czech Republic: Description and crystal-structure determination The Canadian Mineralogist, 2011, 49, 885-897 |
| 9016342 | CIF | Ni Ti | P 1 1 21/m | 2.8894; 4.1334; 4.6321 90; 90; 96.929 | 54.917 | 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: Aged Powder Diffraction, 2009, 24, 315-326 |
| 9016343 | CIF | Al1.468 Fe0.53 Mg1.004 O4 | F d -3 m :2 | 8.1709; 8.1709; 8.1709 90; 90; 90 | 545.519 | 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 = 30 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016344 | CIF | Fe1.1 H0.24 K Mg1.9 O12 Si4 | C 1 2/m 1 | 5.3269; 9.222; 10.129 90; 100.027; 90 | 489.984 | 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_R5 Physics and Chemistry of Minerals, 2008, 35, 163-174 |
| 9016345 | CIF | Al5.68 B3 Cr0.315 Fe0.635 H3 Mg2.001 Na0.96 Ni0.158 O31 Si6 Ti0.039 V0.031 | P 1 | 15.903; 15.9118; 7.2304 90.063; 89.793; 119.742 | 1588.59 | Hughes, J. M.; Rakovan, J.; Ertl, A.; Rossman, G. R.; Baksheev, I.; Bernhardt, H.-J. Dissymmetrization in tourmaline: the atomic arrangement of sectorally zoned triclinic Ni-bearing dravite The Canadian Mineralogist, 2011, 49, 29-40 |
| 9016346 | CIF | Al H24 N O20 S2 | P a -3 | 12.24; 12.24; 12.24 90; 90; 90 | 1833.77 | 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 |
| 9016347 | CIF | Fe S4 Sb2 | P n a m | 11.034; 13.5152; 3.7136 90; 90; 90 | 553.797 | 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 = 4.89 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
| 9016350 | CIF | Be H7.532 Na2 O13.766 Si4 | P 21 21 21 | 9.7128; 10.1352; 11.8919 90; 90; 90 | 1170.65 | Armstrong, J. A.; Friis, H.; Lieb, A.; Finch, A. A.; Weller, M. T. Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals American Mineralogist, 2010, 95, 519-526 |
| 9016351 | CIF | Al3 Ba F3.36 H4.64 Li Mg2 O16.64 Si4 | C c c a :2 | 13.6; 20.24; 5.16 90; 90; 90 | 1420.36 | X-ray Laboratory; Wuhan Geologic College; Geology Laboratory; Hunan Geology Bureau; Geology Team 654; Hunan Geology Bureau Balipholite BaMg2LiAl3[Si2O6]2(OH,F)8 and its crystal structure Scientia Geologica Sinica, 1977, 1, 65-82 |
| 9016353 | CIF | C0.736 H1.998 Al2.7 Ca0.21 Na3.73 O15.207 Si3.3 | P 63 | 12.607; 12.607; 5.111 90; 90; 120 | 703.493 | 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# kir2343 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9016354 | CIF | Al2.754 H12 Mg Na0.75 O42 Si15.246 | I m m m | 19.156; 14.127; 7.489 90; 90; 90 | 2026.65 | Vaughan, P. A. The crystal structure of the zeolite ferrierite Acta Crystallographica, 1966, 21, 983-990 |
| 9016355 | CIF | Li0.4 O3 Sb | P n c n | 4.726; 8.659; 5.2306 90; 90; 90 | 214.049 | Fourquet, J.; Gillet, P.; Le Bail, A. Li/H topotactic exchange on LiSbO3: The series Li(1-x)HxSbO3 (0<=x<=1). _cod_database_code 1000142 Materials Research Bulletin, 1989, 24, 1207-1214 |
| 9016356 | CIF | Ru S2 | P a -3 | 5.6106; 5.6106; 5.6106 90; 90; 90 | 176.615 | Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T. Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2 Acta Crystallographica, Section C, 1990, 46, 2003-2005 |
| 9016358 | CIF | Al36 Ca6.986 H3.76 K12.636 Na30.232 O169.914 S14.656 Si36 | R 3 2 :H | 12.877; 12.877; 95.244 90; 90; 120 | 13677.2 | Camara, F.; Bellatreccia, F.; Della Ventura, G.; Gunter, M. E.; Sebastiani, M.; Cavallo, A. Kircherite, a new mineral of the cancrinite-sodalite group with a 36-layer stacking sequence: Occurrence and crystal structure American Mineralogist, 2012, 97, 1494-1504 |
| 9016361 | CIF | Bi9 Br4.272 Cl43.728 H21 K3.627 N17.373 | R -3 c :H | 13.093; 13.093; 102.682 90; 90; 120 | 15244.2 | Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M. Argesite, (NH4)7Bi3Cl16, a new mineral from La Fossa Crater, Vulcano, Aeolian Islands, Italy: A first example of the [Bi2Cl10]4- anion American Mineralogist, 2012, 97, 1446-1451 |
| 9016362 | CIF | Al1.99 Cu0.41 Mg0.59 O4 | F d -3 m :2 | 8.0852; 8.0852; 8.0852 90; 90; 90 | 528.533 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl70aw American Mineralogist, 2012, 97, 1821-1827 |
| 9016363 | CIF | Al1.609 Fe0.389 Mg1.002 O4 | F d -3 m :2 | 8.1471; 8.1471; 8.1471 90; 90; 90 | 540.766 | 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 = 381 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016364 | CIF | Al1.459 Fe0.539 Mg1.002 O4 | F d -3 m :2 | 8.1684; 8.1684; 8.1684 90; 90; 90 | 545.018 | 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 = 5340 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016365 | CIF | Fe4 H12.5 O12.25 | I m m m | 7.544; 7.56; 7.558 90; 90; 90 | 431.053 | Birch, W. D.; Pring, A.; Reller, A.; Schmalle, H. W. Bernalite, Fe(OH)3, a new mineral from Broken Hill, New South Wales: Description and structure American Mineralogist, 1993, 78, 827-834 |
| 9016367 | CIF | B Ce O5 Si | P 31 | 6.844; 6.844; 6.7 90; 90; 120 | 271.785 | Callegari, A.; Giuseppetti, G.; Mazzi, F.; Tadini, C. The refinement of the crystal structure of stillwellite: RE[BSiO5] Neues Jahrbuch fur Mineralogie, Monatshefte, 1992, 1992, 49-57 |
| 9016368 | CIF | H6 Mg O6 Si | P 21 21 21 | 5.173; 5.21; 7.371 90; 89.88; 90 | 198.658 | 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, GGA from P2_12_12_1 American Mineralogist, 2012, 97, 1043-1048 |
| 9016370 | CIF | Al1.609 Fe0.389 Mg O4 | F d -3 m :2 | 8.1478; 8.1478; 8.1478 90; 90; 90 | 540.905 | 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 = 765 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016372 | CIF | C2 H2 Al1.7 Ba2 Ca F0.66 O18 Si2.98 V1.323 | C 1 2 1 | 5.205; 9.033; 32.077 90; 93.49; 90 | 1505.36 | Liu, J.; Li, G.; Mao, Q.; Wu, S.; Liu, Z.; Su, S.; Xiong, M.; Yu, X. Hanjiangite, a new barium-vanadium phyllosilicate carbonate mineral, from the Shiti barium deposit in the Dabashan region, China Note: data is taken from the deposited cif, which unfortunately does not agree with the published tables. American Mineralogist, 2012, 97, 281-290 |
| 9016374 | CIF | As2 Fe2 Sr | I 4/m m m | 3.9243; 3.9243; 12.3644 90; 90; 90 | 190.413 | Tegel, M.; Rotter, M.; Weiss, V.; Schappacher, F. M.; Pottgen, R.; Johrendt, D. Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2 Note: T = 297 K Journal of Physics: Condensed Matter, 2008, 20, 452201_1-452201_5 |
| 9016375 | CIF | Cl3.9 Cu18 H32.07 N0.66 O34.11 S0.18 | P 63/m m c | 15.739; 15.739; 9.127 90; 90; 120 | 1958 | Hibbs, D. E.; Leverett, P.; Williams, P. A. A single crystal X-ray study of a sulphate-bearing buttgenbachite, Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2.5.2H2O, and a re-examination of the crystal chemistry of the buttgenbachite-connellite series Note: T = 288 K Mineralogical Magazine, 2003, 67, 47-60 |
| 9016376 | CIF | Pt Sb2 | P a -3 | 6.44; 6.44; 6.44 90; 90; 90 | 267.09 | Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741 |
| 9016377 | CIF | Al2 Ca4.33 F13 Fe0.03 H24 Na0.12 O16 S | F d -3 :2 | 16.749; 16.749; 16.749 90; 90; 90 | 4698.58 | Vignola, P.; Hatert, F.; Bersani, D.; Diella, V.; Gentile, P.; Risplendente, A. Chukhrovite-(Ca), Ca4.5Al2(SO4)F13*12H2O, a new mineral species from the Val Cavallizza Pb-Zn-(Ag) mine, Cuasso al Monte, Varese province, Italy European Journal of Mineralogy, 2012, 24, 1069-1076 |
| 9016378 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7475; 4.7475; 9.269 90; 90; 90 | 208.912 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q1, treated at 700 C for 210 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9016383 | CIF | Al4 Ca0.87 H4 Li3.72 Na0.41 O20 P4 | I m c b | 11.476; 15.744; 7.228 90; 90; 90 | 1305.94 | Hatert, F.; Lefevre, P.; Fransolet, A. M. The crystal structure of bertossaite, CaLi2[Al4(PO4)4(OH,F)4] The Canadian Mineralogist, 2011, 49, 1079-1087 |
| 9016384 | CIF | Al0.03 Ba0.87 Ca0.02 F0.65 Fe0.11 H0.89 K0.2 Mg0.04 Mn0.4 Na2.84 Nb0.04 O17.35 Si4 Sr0.47 Ti2.82 | P n m n | 19.564; 7.1173; 5.4144 90; 90; 90 | 753.917 | Sokolova, E.; Hawthorne, F. C. From structure topology to chemical composition. IV. Titanium silicates: The orthorhombic polytype of nabalamprophyllite from Lovozero Massif, Kola Peninsula, Russia Note: polytype nabalamprophyllite-2O The Canadian Mineralogist, 2008, 46, 1323-1331 |
| 9016385 | CIF | Mg2 O4 Si | P b n m | 4.7534; 10.1902; 5.9783 90; 90; 90 | 289.577 | Fujino, K.; Sasaki, S.; Takeuchi, Y.; Sadanaga, R. X-ray determination of electron distributions in forsterite, fayalite and tephroite Acta Crystallographica, Section B, 1981, 37, 513-518 |
| 9016387 | CIF | As2 H8 Mg O16 U2 | C 1 2/m 1 | 18.207; 7.062; 6.661 90; 99.65; 90 | 844.338 | Bachet, B.; Brassy, C. Structure of Mg[(UO2)(AsO4)]2*4H2O Acta Crystallographica, Section C, 1991, 47, 2013-2015 |
| 9016388 | CIF | Fe S4 Sb2 | P n a m | 11.4164; 14.1705; 3.7632 90; 90; 90 | 608.796 | 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 = 0.0001 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
| 9016391 | CIF | Al6.606 B3 Ca0.017 F0.106 Fe1.044 H3.041 K0.04 Mg1.242 Na0.533 O30.894 Si6 Ti0.084 V0.015 | R 3 m :H | 15.935; 15.935; 7.164 90; 90; 120 | 1575.4 | 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 Ru-T17-92 American Mineralogist, 1999, 84, 922-928 |
| 9016392 | CIF | Al2.892 H6 K0.876 Na0.071 O14 S2 | R -3 m :H | 6.9897; 6.9897; 17.574 90; 90; 120 | 743.564 | 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 = 400 C Mineralogical Magazine, 2012, 76, 613-623 |
| 9016394 | CIF | Cl6 K4 Mn | R -3 c :R | 8.468; 8.468; 8.468 89.53; 89.53; 89.53 | 607.154 | Bellanca, A. La struttura della cloromanganocalite Periodico di Mineralogia, 1947, 16, 73-88 |
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