Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
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