Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9013987 | CIF | C0.5 H6 Al3 Ca0.03 K0.18 Na3.53 O14.25 Si3 | P 63 | 12.688; 12.688; 5.189 90; 90; 120 | 723.437 | Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Locality: Kovdor massif, Kola Peninsula, Russia Note: Enraf Nonius diffractometer Crystallography Reports, 2009, 54, 793-799 |
| 9013988 | CIF | C0.5 H6 Al3 Ca0.04 K0.15 Na3.58 O14.25 Si3 | P 63 | 12.688; 12.688; 5.189 90; 90; 120 | 723.437 | Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Locality: Kovdor massif, Kola Peninsula, Russia Note: Bruker SMART CCD diffractometer Crystallography Reports, 2009, 54, 793-799 |
| 9013989 | CIF | Al3 Ca Cl K0.39 Na2.61 O14 S0.5 Si3 | P 63 | 12.773; 12.773; 5.334 90; 90; 120 | 753.65 | Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Crystallography Reports, 2009, 54, 793-799 |
| 9013990 | CIF | Al2 H5 O18 Si3.882 Tm0.935 Y2.115 | P 1 21/n 1 | 5.7551; 14.752; 15.906 90; 96.046; 90 | 1342.9 | Yakbovich, O. V.; Steele, I. M. The crystal structure of vyuntspakhite: a redetermination Crystallography Reports, 2009, 54, 822-830 |
| 9013991 | CIF | Ca2 F O12 P3 Sr3 | P 63 | 9.63; 9.63; 7.22 90; 90; 120 | 579.856 | Klevtsova, R. F. The crystal structure of strontium-apatite Journal of Structural Chemistry, 1964, 5, 318-320 |
| 9013992 | CIF | Ag10.332 As1.602 Cu5.668 S11 Sb0.398 | P -3 m 1 | 7.2567; 7.2567; 11.8193 90; 90; 120 | 539.015 | Bindi, L.; Pekov, I. V. Crystal chemistry of extremely Cu-rich cupropearceite from the Sarbay mine, Northern Kazakhstan Location: Sarbay mine, Northern Kazakhstan Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2009, 138, 44-50 |
| 9013993 | CIF | Fe3 H30 O12.236 S0.5 | P -3 1 m | 5.5241; 5.5241; 11.0113 90; 90; 120 | 291 | Simon, L.; Francois, M.; Refait, P.; Renaudin, G.; Lelaurain, M.; Genin, J. M. R. Structure of Fe(II-III) layered double hydroxysulphate green rust two from Rietveld analysis Locality: synthetic Solid State Sciences, 2003, 5, 327-334 |
| 9013994 | CIF | Mn Si | P 21 3 | 4.548; 4.548; 4.548 90; 90; 90 | 94.072 | Boren, B. Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel Zeitschrift fur Metallkunde, 1957, 48, 126-134 |
| 9013995 | CIF | C H2 Ca4 O10.99 Si1.98 | P 21 21 21 | 3.786; 10.916; 23.379 90; 90; 90 | 966.207 | Rastsvetaeva, R. K.; Bolotina, N. B.; Zadov, A. E.; Chukanov, N. V. Crystal structure of fukalite dimorph Ca4[Si2O6](CO3)(OH)2 from the Gumeshevsk Deposit the Urals Doklady Earth Sciences, 2005, 1347-1351 |
| 9013996 | CIF | C0.31 H18 Al12 Ca2.23 Cl0.17 K2.16 Na11.61 O61.79 S2.7 Si12 | P 3 1 c | 12.892; 12.892; 21.34 90; 90; 120 | 3071.61 | Rastsvetaeva, R. K.; Ivanova, A. G.; Chukanov, N. V.; Verin, I. A. Crystal structure of alloriite Doklady Earth Sciences, 2007, 415, 815-819 |
| 9013997 | CIF | H18 Na4 O19 Si4 | P 1 21/c 1 | 9.8744; 12.3981; 14.8973 90; 104.675; 90 | 1764.29 | Zubkova, N. V.; Pekov, I. V.; Pushcharovskii, D. Y.; Kazantsev, S. S. Crystal structure of yegorovite Na4[Si4O8(OH)4]*7H2O Doklady Earth Sciences, 2009, 427, 814-818 |
| 9013998 | CIF | Mn Si | P 21 3 | 4.558; 4.558; 4.558 90; 90; 90 | 94.694 | Lebech, B.; Bernhard, J.; Freltoft, T. Magnetic structures of cubic FeGe studied by small-angle neutron scattering Journal of Physics: Condensed Matter, 1989, 1, 6105-6122 |
| 9013999 | CIF | As0.02 Cu0.94 H O5 P0.98 Zn1.06 | P n n m | 8.323; 8.251; 5.861 90; 90; 90 | 402.493 | Williams, P. A.; Leverett, P.; Birch, W. D.; Hibbs, D. E.; Kilitsch, U.; Mihajlovic, T. Zinc-rich zincolibethenite from Broken Hill, New South Wales Note: z-coordinate of O3 altered by communication with authors, April 2010 Australian Journal of Mineralogy, 2006, 12, 3-7 |
| 9014000 | CIF | Cu H6 O14 Pb4 S2 | P -1 | 5.796; 7.9471; 7.9836 111.994; 97.765; 100.426 | 326.939 | Mereiter, K. Chenite, Pb4Cu(SO4)2(OH)6, from Susanna mine, Leadhills, Scotland. Note: Crystal is from the Paar et al (1986) mineral description paper Private communication, 2009 |
| 9014001 | CIF | Ba Fe12 O19 | P 63/m m c | 5.9291; 5.9281; 23.407 90; 90; 120 | 712.493 | Collomb, A.; Wolfers, P.; Obradors, X. Neutron diffraction studies of some hexagonal ferrites: BaFe12O19, BaMg2-W and CaCo2-W Note: T = 470 C, neutron, refined with Rietveld Journal of Magnetism and Magnetic Materials, 1986, 62, 57-67 |
| 9014002 | CIF | Cl O12 Pb5 V3 | P 63/m | 10.299; 10.299; 7.308 90; 90; 120 | 671.304 | Laufek, F.; Skala, R.; Haloda, J.; Cisarova, I. Crystal structure of vanadinite: refinement of anisotropic displacement parameters Locality: Mibladen, Morocco Journal of the Czech Geological Society, 2006, 51, 271-275 |
| 9014003 | CIF | C H8 B Na O8 | C 1 2 1 | 16.119; 6.928; 6.73 90; 100.46; 90 | 739.066 | Wang, L.; Zhou, K.; Shi, J. Refinement of the qilianshanite structure Geological Review, 1994, 40, 347-353 |
| 9014004 | CIF | C | P 6/m m m | 4.89; 4.89; 3.88 90; 90; 120 | 80.349 | Bucknum, M. J.; Castro, E. A. The carbon allotrope hexagonite and its potential synthesis from cold compression of carbon nanotubes Journal of Chemical Theory and Computation, 2006, 2, 775-781 |
| 9014005 | CIF | C3 K4 O11 U | C 1 2/c 1 | 10.24; 9.198; 12.222 90; 95.12; 90 | 1146.57 | Han, J. C.; Rong, S. B.; Chen, Q. M.; Wu, X. R. The determination of the crystal structure of tetrapotassium uranyl tricarbonate by powder X-ray diffraction method Locality: synthetic Chinese Journal of Chemistry, 1990, 4, 313-318 |
| 9014006 | CIF | Ni3 Sn | P m -3 m | 3.738; 3.738; 3.738 90; 90; 90 | 52.23 | Cannon, F. C. Effect of high pressure on the structure of AB3-type layered compounds Materials Research Society Symposia Proceedings, 1984, 22, 113-116 |
| 9014009 | CIF | Al6.873 B3 F0.05 Fe1.188 H5.85 Li0.021 Mg0.819 Mn0.081 Na0.37 O30.95 Si5.958 Ti0.009 Zn0.009 | R 3 m :H | 15.9537; 15.9537; 7.1448 90; 90; 120 | 1574.87 | 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 TK3 European Journal of Mineralogy, 2012, 24, 695-715 |
| 9014010 | CIF | B H3 O3 | P -1 | 7.05; 7.05; 6.57 92.5; 101.17; 120 | 273.621 | Zachariasen, W. H. The crystal lattice of boric acid, BO3H3 Zeitschrift fur Kristallographie, 1934, 88, 150-161 |
| 9014011 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.24; 12.24; 4.843 90; 90; 120 | 628.359 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 6.63 GPa American Mineralogist, 2012, 97, 872-882 |
| 9014013 | CIF | As0.111 Cu0.889 | P 63/m m c | 2.588; 2.588; 4.226 90; 90; 120 | 24.513 | Heyding, R. D.; Despault, G. J. G. The copper/arsenic system and the copper arsenide minerals Canadian Journal of Chemistry, 1960, 38, 2477-2481 |
| 9014014 | CIF | Al7.167 B3 Ca0.441 F0.681 Fe0.027 H3.318 Li1.278 Mn0.531 Na0.471 O30.318 Pb0.025 Si6 | R 3 m :H | 15.8675; 15.8675; 7.1135 90; 90; 120 | 1551.07 | 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: L11, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014015 | CIF | C0.85 H1.998 Al2.82 Ca0.51 Na3.49 O15.549 Si3.18 | P 63 | 12.627; 12.627; 5.136 90; 90; 120 | 709.179 | 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# ggm44331 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9014016 | CIF | Ge O2 | P 32 2 1 | 4.9113; 4.9113; 5.6099 90; 90; 120 | 117.187 | Yamanaka, T.; Ogata, K. Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 1.69 GPa T = 293 K Note: quartz structure Journal of Applied Crystallography, 1991, 24, 111-118 |
| 9014018 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8336; 7.6076; 9.6298 90; 90.165; 90 | 354.106 | Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study American Mineralogist, 2010, 95, 1413-1421 |
| 9014019 | CIF | Ni0.493 Ti0.507 | P m -3 m | 3.00896; 3.00896; 3.00896 90; 90; 90 | 27.243 | 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 |
| 9014020 | CIF | Ca1.78 Fe1.72 H2 K0.4 Mg3.404 Na0.56 O24 Si8 | C 1 2/m 1 | 9.718; 17.87; 5.259 90; 105.8; 90 | 878.776 | Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S. The effect of oxo-component on the high-pressure behavior of amphiboles Sample: FR12 P = 2.85 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9014023 | CIF | Cl2 Cu5 H12 O10 | C 1 2/m 1 | 10.3113; 6.7606; 8.8386 90; 111.468; 90 | 573.397 | Hawthorne, F. C.; Cooper, M. A.; Grice, J. D.; Roberts, A. C.; Hubbard, N. Description and crystal structure of bobkingite, (Cu2+)5Cl2(OH)8(H2O)2, a new mineral from New Cliffe Hill Quarry, Stanton-under-Bardon, Leicestershire, UK Mineralogical Magazine, 2002, 66, 301-311 |
| 9014024 | CIF | Al5.451 B3 Ca0.062 F0.3 Fe3.549 H3.23 Na0.938 O30.7 Si6 | R 3 m :H | 16.043; 16.043; 7.247 90; 90; 120 | 1615.33 | 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 bls2 American Mineralogist, 2012, 97, 1402-1416 |
| 9014025 | CIF | O4 Pb W | I 41/a :1 | 5.44505; 5.44503; 12.0495 90; 90; 90 | 357.249 | Xu, K.; Xue, J.; Ding, Y.; Lu, G. Discovery of stolzite in China and refinement of its crystal structure Acta Geologica Sinica, 1995, 8, 111-116 |
| 9014026 | CIF | Cl10 Cu6.15 K0.62 O8 Pb1.45 Se2 Zn | P n n m | 9.132; 19.415; 13.213 90; 90; 90 | 2342.64 | Shuvalov, R. R.; Vergasova, L. P.; Semenova, T. F.; Filatov, S. K.; Krivovichev, S. V.; Siidra, O. I.; Rudashevsky, N. S. Prewittite, KPb1.5Cu6Zn(SeO3)2O2Cl10, a new mineral from Tolbachik fumaroles, Kamchatka peninsula, Russia: Description and crystal structure American Mineralogist, 2013, 98, 463-469 |
| 9014030 | CIF | As10 Cu13 H50 O63 | P -1 | 6.424; 14.37; 16.559 102.882; 101.036; 98.022 | 1435.81 | Sejkora, J.; Plasil, J.; Ondrus, P.; Veselovsky, F.; Cisarova, I.; Hlousek, J. Slavkovite, Cu13(AsO4)6(AsO3OH)4*23H2O, a new mineral species from Horni Slavkov and Jachymov, Czech Republic: Description and crystal-structure determination The Canadian Mineralogist, 2010, 48, 1157-1170 |
| 9014032 | CIF | Bi2 Pt | P a -3 | 6.7022; 6.7022; 6.7022 90; 90; 90 | 301.059 | 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 |
| 9014033 | CIF | Al Ca F6 H2 Na O | P 1 21/c 1 | 5.563; 5.541; 16.115 90; 96.35; 90 | 493.691 | Adhikesavalu, D.; Cameron, T. S.; Knop, O. Thomsenolite, NaCaAlF6*H2O: hydrogen bonding and comparison with pachnolite Canadian Journal of Chemistry, 1985, 63, 3322-3327 |
| 9014034 | CIF | C0.61 Na4 O7.39 S1.39 | P m n m :2 | 5.17; 9.217; 7.058 90; 90; 90 | 336.327 | Giuseppetti, G.; Mazzi, F.; Tadini, C. The crystal structure of synthetic burkeite Na4SO4(CO3)t(SO4)1-t Sample A Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 203-221 |
| 9014036 | CIF | Cr2 O3 | R -3 c :H | 4.957; 4.957; 13.5923 90; 90; 120 | 289.242 | Sawada, H. Residual electron density study of chromium sesquioxide by crystal structure and scattering factor refinement Note: harmonic scattering factor refinement Materials Research Bulletin, 1994, 29, 239-245 |
| 9014038 | CIF | O7 W2 | F d -3 m :2 | 10.206; 10.206; 10.206 90; 90; 90 | 1063.08 | Nedjar, R.; Borel, M.; Hervieu, M.; Raveau, B. Une Nouvelle Forme de Trioxyde de Tungstene: Les Oxydes WO3 et WO3*0.5(H2O) a Structure Pyrochlore _cod_database_code 1001358 Materials Research Bulletin, 1988, 23, 91-97 |
| 9014041 | CIF | Ni7 P7 | C m c 21 | 23.801; 5.9238; 4.8479 90; 90; 90 | 683.517 | Dera, P.; Lazarz, J. D.; Lavina, B. Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 5.79 GPa Journal of Solid State Chemistry, 2011, 184, 1997-2003 |
| 9014042 | CIF | Cu K2 O14 S2 | P 1 21/c 1 | 6.159; 12.131; 9.086 90; 104.45; 90 | 657.384 | Carapezza, M.; Di Sanseverino, L. R. Crystallography and genesis of double sulfates and their hydrates. II. Structure, powder pattern and thermoanalysis of cyanochroite, K2Cu(SO4)2*6H2O Mineralogica Petrographica Acta, 1968, 14, 23-37 |
| 9014043 | CIF | C2 H10 Ca Cl O7 | P 1 21/c 1 | 6.82; 13.72; 11.51 90; 116.7; 90 | 962.157 | Giuseppetti, G.; Tadini, C.; Ungaretti, L. La struttura cristallina della calclacite Periodico di Mineralogia, 1970, 39, 145-158 |
| 9014045 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.5136; 11.5136; 11.5136 90; 90; 90 | 1526.28 | Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 823.1 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014048 | CIF | Na Nb O3 | P b m a | 5.5679; 15.5156; 5.5029 90; 90; 90 | 475.392 | Hewat, A. W. Neutron powder profile refinement of ferroelectric and antiferroelectric crystal structures: sodium niobate at 22 deg C Ferroelectrics, 1974, 7, 83-85 |
| 9014049 | CIF | As S | P 1 21/n 1 | 8.827; 12.683; 6.213 90; 106.95; 90 | 665.347 | 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 = 3.97 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9014051 | CIF | Al7.287 B3 Ca0.685 F0.685 Fe0.06 H3.315 Li1.617 Mn0.036 Na0.245 O30.315 Pb0.01 Si6 Ti0.003 | R 3 m :H | 15.8307; 15.8307; 7.1013 90; 90; 120 | 1541.23 | Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L16, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014052 | CIF | Ba2 Co O7 Si2 | C 1 2/c 1 | 8.45; 10.729; 8.474 90; 111.365; 90 | 715.458 | Adams, R. D.; Layland, R.; Payen, C.; Datta, T. Synthesis, structural analyses, and unusual magnetic properties of Ba2CoSi2O7 and BaCo2Si2O7 Note: Compound 1 Inorganic Chemistry, 1996, 35, 3492-3497 |
| 9014053 | CIF | Ca3 Cu0.92 O13 Si3 | P n 2 n | 5.6551; 3.683; 27.1372 90; 90; 90 | 565.206 | Kampf, A. R.; Mills, S. J.; Merlino, S.; Pasero, M.; McDonald, A. M.; Wray, W. B.; Hindman, J. R. Whelanite, Cu2Ca6[Si6O17(OH)](CO3)(OH)3(H2O)2, an (old) new mineral from the Bawana mine, Milford, Utah Note: not all atoms could be located American Mineralogist, 2012, 97, 2007-2015 |
| 9014056 | CIF | Fe | F m -3 m | 3.581; 3.581; 3.581 90; 90; 90 | 45.921 | 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 = 6.41 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014057 | CIF | Be O | P 63 m c | 2.7178; 2.7178; 4.4078 90; 90; 120 | 28.196 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 1183 K Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9014058 | CIF | Al6.109 B3.08 Ca0.09 F0.17 Fe0.06 H3.58 Li0.002 Mg2.73 Na0.82 O30.83 Si5.9 Ti0.11 | R 3 m :H | 15.941; 15.941; 7.201 90; 90; 120 | 1584.73 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Dravite 43230 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9014059 | CIF | Ca12 F K O26 S2 Si4 | R -3 m :H | 7.197; 7.197; 41.224 90; 90; 120 | 1849.2 | Fayos, J.; Glasser, F. P.; Howie, R. A.; Lachowski, E.; Perez-Mendez M Structure of dodecacalcium potassium fluoride dioxide tetrasilicate bis(sulphate), KF.2[Ca6(SO4)(SiO4)20]: a fluorine-containing phase encountered in cement clinker production process Acta Crystallographica, Section C, 1985, 41, 814-816 |
| 9014060 | CIF | As H7.5 K0.5 O9.5 U | P 4/n c c :2 | 7.171; 7.171; 18.048 90; 90; 90 | 928.087 | 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 Sample: Abernathyite - K(H3O) American Mineralogist, 1964, 49, 1578-1602 |
| 9014061 | CIF | B Ca H O3 | P 1 21/m 1 | 6.722; 5.437; 3.555 90; 93; 90 | 129.748 | Takahashi, R.; Kusachi, I.; Miura, H. Crystal structure of parasibirskite (CaHBO3) and polymorphism in sibirskite and parasibirskite Journal of Mineralogical and Petrological Sciences, 2010, 105, 70-73 |
| 9014064 | CIF | C2 H2 O12 Pb4 S | P 1 21/a 1 | 9.11; 20.82; 11.59 90; 90.46; 90 | 2198.21 | Giuseppetti, G.; Mazzi, F.; Tadini, C. The crystal structure of leadhillite: Pb4(SO4)(CO3)2(OH)2 Neues Jahrbuch fur Mineralogie, Monatshefte, 1990, 1990, 255-268 |
| 9014066 | CIF | Ba0.06 Ca4.2 Ce0.82 F1.88 Gd0.04 La0.1 Na2.36 Nd1.14 O24 P5.88 Pr0.2 Si0.12 Sm0.22 Sr0.9 | P -3 | 9.4553; 9.4553; 6.9825 90; 90; 120 | 540.62 | Pekov, I. V.; Zubkova, N. V.; Husdal, T. A.; Kononkova, N. N.; Agakhanov, A. A.; Zadov, A. E.; Pushcharovsky, D. Y. Carlgieseckeite-(Nd), NaNdCa3(PO4)3F, a new belovite-group mineral species from the Ilimaussaq alkaline complex, South Greenland The Canadian Mineralogist, 2012, 50, 571-580 |
| 9014067 | CIF | Cr2 O3 | R -3 c :H | 4.629; 4.629; 12.88 90; 90; 120 | 239.013 | 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 = 63.9 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9014068 | CIF | Al0.03 Ba0.6 Fe0.98 H0.4 Mg0.02 O11.4 Si0.86 V5.305 Zn0.11 | P -3 m 1 | 5.75; 5.75; 14.459 90; 90; 120 | 414.004 | Bartholomew, P. R.; Mancini, F.; Harlow, G. E.; Deifel, N.; Cahill, C.; Bernhardt, H. J. Greenwoodite, a new nesosilicate from British Columbia with a Ba-VOH coupled substitution and tetrahedral Fe: description and structure The Canadian Mineralogist, 2012, 50, 1233-1242 |
| 9014069 | CIF | Al1.33 Fe0.21 Mg0.16 O6 Si0.91 | P -3 1 m | 4.7621; 4.7621; 4.2964 90; 90; 120 | 84.379 | Boffa Ballaran, T.; Frost, D. J.; Miyajima, N.; Heidelbach, F. The structure of a super-aluminous version of the dense hydrous-magnesium silicate phase D American Mineralogist, 2010, 95, 1113-1116 |
| 9014071 | CIF | C0.097 H3.224 Cr0.19 Mg0.81 O2.903 | P 63/m m c | 3.09646; 3.09646; 15.627 90; 90; 120 | 129.759 | 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: Sample 92459, 2H1 polytype of stichtite American Mineralogist, 2011, 96, 179-187 |
| 9014073 | CIF | Ca9 F0.784 H1.2 O17.216 Si4 | P 21/b 1 1 | 5.0672; 11.3545; 15.3941 100.587; 90; 90 | 870.63 | Galuskin, E. V.; Lazic, B.; Armbruster, T.; Galuskina, I. O.; Pertsev, N. N.; Gazeev, V. M.; Wlodyka, R.; Dulski, M.; Dzierzanowski, P.; Zadov, A. E.; Dubrovinsky, L. S. Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series of calcium humite-group minerals from altered xenoliths in the ignimbrite of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia American Mineralogist, 2012, 97, 1998-2006 |
| 9014074 | CIF | Ba O3 Ti | R 3 m :R | 4.0043; 4.0043; 4.0043 89.855; 89.855; 89.855 | 64.206 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 180 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9014075 | CIF | Al2 Ca0.59 H4 O10 Si2 Sr0.41 | P 1 21/m 1 | 5.351; 13.2073; 5.8443 90; 124.17; 90 | 341.731 | 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 #AU87 American Mineralogist, 2010, 95, 724-735 |
| 9014078 | CIF | Al2 H19 O18 P S | P 1 21/n 1 | 13.9163; 17.2422; 6.1125 90; 98.255; 90 | 1451.48 | Colombo, F.; Rius, J.; Pannunzio-Miner E V; Pedregosa, J. C.; Cami, G. E.; Carbonio, R. E. Sanjuanite: Ab Initio crystal-structure solution from laboratory powder-diffraction data, complemented by FTIR spectroscopy and DT-TG analyses Pocito Department, San Juan Province, Argentina The Canadian Mineralogist, 2011, 49, 835-847 |
| 9014079 | CIF | Fe3 H20 K5 O35 S6 | P 1 21/c 1 | 9.491; 18.474; 18.109 90; 92.38; 90 | 3172.43 | Mereiter, K.; Vollenkle, H. Die Kristallstruktur von beta-pentakalium-[mu3-oxo-hexa-mu-sulfato- triquatriesen(III)]-Heptahydrat - eine monokline Modifikation des Masschen Salzes Acta Crystallographica, Section B, 1978, 34, 378-384 |
| 9014081 | CIF | Ba Be2 O7 Si2 | P n 21 a | 9.79; 11.01; 4.63 90; 90; 90 | 499.058 | Abrashev, K. K.; Ilyukhin, V. V.; Belov, N. V. Crystal structure of barylite, BaBe2Si2O7 Coordinates of x(O2), z(O3), x(O7), z(Be1) modified acording to ICSD Soviet Physics Crystallography, 1965, 9, 691-699 |
| 9014082 | CIF | Al3.84 Ca1.6 H30.08 K0.17 Mg0.4 O39.04 Si8.16 Sr0.34 | R -3 m :R | 9.428; 9.428; 9.428 94.14; 94.14; 94.14 | 831.133 | 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: Natural chabazite Zeolites, 1982, 2, 303-309 |
| 9014084 | CIF | Al7 B3 Ca0.452 F0.327 H3.39 K0.04 Li2 Na0.435 O30.672 Si6 | R 3 m :H | 15.882; 15.882; 7.115 90; 90; 120 | 1554.23 | Aurisicchio, C.; Demartin, F.; Ottolini, L.; Pezzotta, F. Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 2 European Journal of Mineralogy, 1999, 11, 237-242 |
| 9014087 | CIF | Cl6 Co Fe H18 N6 | P a -3 | 11.2506; 11.2506; 11.2506 90; 90; 90 | 1424.06 | 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 |
| 9014088 | CIF | Al2 Ca H4 O10 Si2 | C m c m | 5.849; 8.79; 13.132 90; 90; 90 | 675.152 | Pawley, A. R.; Allan, D. R. A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN82, P = 0 GPa Mineralogical Magazine, 2001, 65, 41-58 |
| 9014090 | CIF | As Cu3 S4 | P m n 21 | 7.426; 6.4521; 6.1631 90; 90; 90 | 295.294 | Henao, J. A.; Diaz de Delgado, G.; Delgado, J. M.; Castrillo, F. J.; Odreman, O. Single-crystal structure refinement of enargite [Cu3AsS4] Note z-coordinate of S1 changed from .4592 to match reported bond lengths Materials Research Bulletin, 1994, 29, 1121-1127 |
| 9014091 | CIF | Al6 F6 H72 Mg0.5 O64 S7 | R -3 :H | 22.01; 22.01; 9.238 90; 90; 120 | 3875.69 | Demartin, F.; Gramaccioli, C. M.; Campostrini, I.; Castellano, C. Cossaite, (Mg0.5,_)Al6(SO4)6(HSO4)F6*36H2O, a new mineral from La Fossa crater, Vulcano, Aeolian Islands, Italy Note: H atom in HSO4 group was not located Mineralogical Magazine, 2011, 75, 2847-2855 |
| 9014092 | CIF | Al2 H56 Mg O57 V10 | P c c n | 16.3357; 24.2434; 11.7343 90; 90; 90 | 4647.17 | Kampf, A. R.; Hughes, J. M.; Marty, J.; Nash, B. Postite, Mg(H2O)6Al2(OH)2(H2O)8(V10O28)*13H2O, a new mineral species from the La Sal Mining District, Utah: Crystal structure and descriptive mineralogy The Canadian Mineralogist, 2012, 50, 45-53 |
| 9014093 | CIF | Al3.72 H19.36 Na3.16 O33.68 Si8.28 | R -3 m :R | 9.425; 9.425; 9.425 94.06; 94.06; 94.06 | 830.61 | 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: Na-exchanged Zeolites, 1982, 2, 303-309 |
| 9014094 | CIF | Al7.173 B3 Ca0.517 F0.589 Fe0.09 H3.411 Li1.395 Mg0.102 Mn0.234 Na0.386 O30.411 Pb0.021 Si6 Ti0.003 | R 3 m :H | 15.8548; 15.8548; 7.1099 90; 90; 120 | 1547.8 | 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: L4, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014097 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.4508; 11.4508; 11.4508 90; 90; 90 | 1501.44 | Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 223.3 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014098 | CIF | Al0.2 B2 Fe1.404 Mg3.976 O10 Ti0.42 | P b a m | 9.26; 12.294; 3.0236 90; 90; 90 | 344.214 | Brovkin, A. A.; Rozhdestvenskaya, I. V.; Rykova, E. A. Cation distribution in the structure of titanium-containing ludwigite Note: to be the mineral azoproite, Ti+Mg must be greater than Fe3+ in M4 site Note: Uiso values have been divided by 100 Crystallography Reports, 2002, 47, 412-414 |
| 9014099 | CIF | As2.56 Cl9 Mo0.16 O36.7 Pb32 Si0.96 V0.32 | C 1 2/c 1 | 23.139; 22.684; 12.389 90; 102.09; 90 | 6358.57 | Siidra, O. I.; Krivovichev, S. V.; Turner, R. W.; Rumsey, M. S.; Spratt, J. Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures: Part I. Crystal structure of hereroite, [Pb32O20(O,[_])](AsO4)2[(Si,As,V,Mo)O4]2Cl10 American Mineralogist, 2013, 98, 248-255 |
| 9014101 | CIF | Al2.08 Ca2 Fe0.39 H Mn0.53 O13 Si3 | P 1 21/m 1 | 8.8817; 5.6543; 10.163 90; 115.435; 90 | 460.914 | 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 22 American Mineralogist, 2010, 95, 1237-1246 |
| 9014102 | CIF | Cr2 Fe S4 | F d -3 m :2 | 9.9763; 9.9763; 9.9763 90; 90; 90 | 992.907 | Lo Presti, L.; Destro, R. Experimental and theoretical charge density distribution of the colossal magnetoresistive transition metal sulfide FeCr2S4 T = 23 K Journal of Chemical Physics, 2008, 128, 044710-044719 |
| 9014103 | CIF | Na Nb O3 | P 21 m a | 5.571; 7.766; 5.513 90; 90; 90 | 238.517 | Johnston, K. E.; Tang, C. C.; Parker, J. E.; Knight, K. S.; Lightfoot, P.; Ashbrook, S. E. The polar phase of NaNbO3: a combined study by powder diffraction, solid-state NMR and first-principles calculations Note: this is a polymorph of lueshite Journal of the American Chemical Society, 2010, 132, 8732-8746 |
| 9014104 | CIF | Al4.56 B3 Ca0.48 F0.18 Fe2.01 H6.18 K0.01 Mg2.19 Na0.49 O30.82 Si6 Ti0.21 | R 3 m :H | 16.017; 16.017; 7.256 90; 90; 120 | 1612.09 | Camara, F.; Ottolini, L.; Hawthorne, F. C. Crystal chemistry of three tourmalines by SREF, EMPA and SIMS Sample: Crystal 1 American Mineralogist, 2000, 87, 1437-1442 |
| 9014105 | CIF | Al0.03 Ca2 Fe1.366 H Mg0.344 Mn0.26 O15 Si5 | P -1 | 7.48; 12.159; 6.678 86.1; 93.92; 112.08 | 560.91 | Armbruster, T. Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val Calanca, Grisons, Switzerland Note: Sample NMBE 34974 Schweizerische Mineralogische und Petrographische Mitteilungen, 2000, 80, 279-284 |
| 9014106 | CIF | Mn0.5 O | P 63 m c | 2.786; 2.786; 4.412 90; 90; 120 | 29.657 | Kondrashev, Y. D.; Zaslavskii, A. I. The structure of the modifications of manganese oxide Izvestiya Akademii Nauk SSSR, 1951, 15, 179-186 |
| 9014107 | CIF | H7 Mg2 Na O11 P2 | P b c a | 16.295; 13.009; 8.434 90; 90; 90 | 1787.85 | Atencio, D.; Chukanov, N. V.; Nestola, F.; Witzke, T.; Coutinho, J. M. V.; Zadov, A. E.; Contreira, R. R.; Farber, G. Mejillonesite, a new acid sodium, magnesium phosphate mineral, from Mejillones, Antofagasta, Chile American Mineralogist, 2012, 97, 19-25 |
| 9014108 | CIF | Al1.609 Fe0.39 Mg1.001 O4 | F d -3 m :2 | 8.1462; 8.1462; 8.1462 90; 90; 90 | 540.587 | 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 = 45 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014111 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.1124; 5.4917; 9.911 90; 90; 90 | 876.97 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 4.025 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9014112 | CIF | Nb2 O6 Pb | R 3 m :H | 10.501; 10.501; 11.555 90; 90; 120 | 1103.47 | Mahe, R. Etude structurale du metaniobate de plombe rhomboedrique II. - Positions des atomes Bulletin de la Societe Chimique de France, 1967, 1967, 1879-1884 |
| 9014113 | CIF | Fe | F m -3 m | 3.468; 3.468; 3.468 90; 90; 90 | 41.71 | 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 = 27.44 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014114 | CIF | Al1.461 Fe0.539 Mg O4 | F d -3 m :2 | 8.1699; 8.1699; 8.1699 90; 90; 90 | 545.318 | 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 = 1 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014115 | CIF | C2.63 Ca0.14 Ce0.84 F1.72 La0.9 Na Nd0.08 O7.89 Pr0.02 Sm0.02 | P -6 m 2 | 5.1131; 5.1131; 8.6759 90; 90; 120 | 196.433 | Piilonen, P. C.; McDonald, A. M.; Grice, J. D.; Cooper, M. A.; Kolitsch, U.; Rowe, R.; Gault, R. A.; Poirier, G. Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia), with descriptions of the crystal structures of arisite-(La) and arisite-(Ce) Note: x-coordinate of O1 adjusted to special position Mineralogical Magazine, 2010, 74, 257-268 |
| 9014116 | CIF | Ca0.25 Ce0.348 Fe0.03 Gd0.01 La0.12 Nb1.14 Nd0.14 O6 Pr0.04 Sm0.02 Sr0.01 Th0.06 Ti0.86 Y0.02 | P n m a | 11.0563; 7.56; 5.3637 90; 90; 90 | 448.328 | Morrison, S. M.; Downs, R. T.; Domanik, K. J.; Yang, H.; Doell, D. Nioboaeschynite-(Ce), Ce(NbTi)O6 Acta Crystallographica, Section E, 2012, 68, i64-i65 |
| 9014117 | CIF | Mg O3 Si | P b c a | 18.21; 8.82; 5.1767 90; 90; 90 | 831.441 | 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 = 0.00010(1) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9014118 | CIF | Na Nb O3 | P b m a | 5.566; 15.52; 5.506 90; 90; 90 | 475.632 | Sakowski-Cowley A C; Lukaszewicz, K.; Megaw, H. D. The structure of sodium niobate at room temperature, and the problem of reliability in pseudosymmetric structures Acta Crystallographica, Section B, 1969, 25, 851-865 |
| 9014120 | CIF | Be O | P 63 m c | 2.6983; 2.6983; 4.3776 90; 90; 120 | 27.602 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 1 in air Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9014122 | CIF | Na1.74 Nb2 Nd0.09 O6 | P b c m | 5.51; 5.5563; 15.567 90; 90; 90 | 476.587 | Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G. Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = .58, Nd.09Na1.74Nb2O6 Inorganic Materials, 2004, 40, 1324-1330 |
| 9014123 | CIF | Cl3 Mn0.508 Na21.492 O40 S10 | I -4 3 d | 15.9291; 15.9291; 15.9291 90; 90; 90 | 4041.79 | Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M.; Russo, M. D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3, two new minerals from volcanic fumaroles Mineralogical Magazine, 2012, 76, 2773-2783 |
| 9014124 | CIF | Ag1.621 Bi9.379 Cu4 Pb2 S19 | C 1 2/m 1 | 13.3801; 4.0007; 31.083 90; 93.064; 90 | 1661.49 | Topa, D.; Makovicky, E.; Ilinca, G.; Dittrich, H. Cupromakopavonite, Cu8Ag3Pb4Bi19S38, a new mineral species, its crystal structure and the cupropavonite homologous series The Canadian Mineralogist, 2012, 50, 295-312 |
| 9014126 | CIF | Al0.07 Ca2 Fe1.72 H Mg0.04 Mn0.17 O15 Si5 | P -1 | 7.497; 12.225; 6.71 86.18; 93.9; 112.27 | 567.231 | Tagai, T.; Joswig, W.; Fuess, H. Neutron diffraction study of babingtonite at 80 K Note: T = 80 K Mineralogical Journal, 1990, 15, 8-18 |
| 9014129 | CIF | H8 Mg O8 S | C 1 2/c 1 | 11.9236; 5.1736; 12.1958 90; 117.548; 90 | 667.037 | Peterson, R. C. Cranswickite MgSO4*4H2O, a new mineral from Calingasta, Argentina American Mineralogist, 2011, 96, 869-877 |
| 9014130 | CIF | Ba0.02 Ca1.34 Ce0.02 Dy0.02 K0.52 Na0.68 Nd0.04 O20 Pr0.01 Si8 Sm0.01 Th0.26 U0.59 | P 4/m c c | 7.5505; 7.5505; 14.7104 90; 90; 90 | 838.641 | Uvarova, Y. A.; Sokolova, E. V.; Hawthorne, F. C.; Agakhanov, A. A.; Pautov, L. A. The crystal structure of arapovite, U4+(Ca,Na)2(K1-x_x)[Si8O20],x~0.5, a new mineral species of the steacyite group from the Dara-i-Pioz moraine, Tien-Shan Mountains, Tajikistan The Canadian Mineralogist, 2004, 42, 1005-1011 |
| 9014132 | CIF | Ca H12 O17 Si2 U2 | P 1 21/a 1 | 13.947; 15.465; 6.626 90; 91.399; 90 | 1428.74 | Barinova, A. V.; Rastsvetaeva, R. K.; Sidorenko, G. A.; Verin, I. A. Crystal structure of beta-uranophane from the Transbaikal region and its relation to the structure of the alpha modification Crystallography Reports, 2003, 48, 12-15 |
| 9014133 | CIF | Al8.55 B3.906 H3 Li0.45 Na0.79 O31 Si5.094 | R 3 m :H | 15.746; 15.746; 7.075 90; 90; 120 | 1519.14 | Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R. Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-9 American Mineralogist, 2012, 97, 1591-1597 |
| 9014138 | CIF | Ca H10 K2 O15 Si4 | P 1 21/n 1 | 6.4934; 6.9919; 32.087 90; 94.68; 90 | 1451.93 | 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 |
| 9014140 | CIF | Ge O2 | P 32 2 1 | 4.9097; 4.9097; 5.6249 90; 90; 120 | 117.424 | Yamanaka, T.; Ogata, K. Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 2.9 GPa T = 493 K Note: quartz structure Journal of Applied Crystallography, 1991, 24, 111-118 |
| 9014142 | CIF | Al7.224 B3 Ca0.636 F0.708 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, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014143 | CIF | As4 Cu6 Hg3 S12 | R 3 :H | 13.73; 13.73; 9.329 90; 90; 120 | 1523.02 | Nowacki, W. Isotypy in aktashite Cu6Hg3As4S12 and nowackiite Cu6Zn3As4S12 Soviet Physics Crystallography, 1982, 27, 26-27 |
| 9014146 | CIF | Ag0.985 Cu0.005 | P 63/m m c | 2.88; 2.88; 9.62 90; 90; 120 | 69.102 | Novgorodova, M. I.; Gorshkov, A. I.; Mokhov, A. V. Native silver and its new structural modifications Note: sample DV-300, known as silver 4H International Geology Review, 1981, 23, 485-494 |
| 9014147 | CIF | Al4 B10.8 Be4.84 Cs0.553 K0.332 O28 | P -4 3 m | 7.3149; 7.3149; 7.3149 90; 90; 90 | 391.404 | Pekov, I. V.; Yakubovich, O. V.; Massa, W.; Chukanov, N. V.; Kononkova, N. N.; Agakhanov, A. A.; Karpenko, V. Y. Londonite from the Urals, and new aspects of the crystal chemistry of the rhodozite-londonite series, Note: sample FMM-32135 The Canadian Mineralogist, 2010, 48, 241-254 |
| 9014148 | CIF | Cl3.9 Cu18 H34.32 N0.66 O36.36 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 = 100 K Mineralogical Magazine, 2003, 67, 47-60 |
| 9014149 | CIF | H5.08 K0.92 O12 S U2 | C 1 2/m 1 | 8.7802; 13.9903; 8.863 90; 104.524; 90 | 1053.92 | Plasil, J.; Mills, S. J.; Fejfarova, K.; Dusek, M.; Novak, M.; Skoda, R.; Cejka, J.; Sejkora, J. The crystal structure of natural zippeite, K1.85H+0.15[(UO2)4O2(SO4)2(OH)2](H2O)4, from Jachymov, Czech Republic The Canadian Mineralogist, 2011, 49, 1089-1103 |
| 9014150 | CIF | Al0.55 Ca2 Fe1.45 O5 | I 2 m b | 5.2866; 14.3321; 5.5163 90; 90; 90 | 417.959 | 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 = 7.73 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9014151 | CIF | La0.4 Nb2 O6 Sr0.6 | P n m a | 11.055; 7.658; 5.578 90; 90; 90 | 472.229 | 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 |
| 9014152 | CIF | Al2.66 Be2 F2 K0.46 Na6.2 O39 Si15.34 | P -3 m 1 | 14.3446; 14.3446; 4.8455 90; 90; 120 | 863.468 | 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 |
| 9014153 | CIF | B Ca H O3 | P 1 21/m 1 | 6.6994; 5.4269; 3.5534 90; 93.048; 90 | 129.008 | 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 |
| 9014156 | CIF | Fe5 Si3 | P 63/m c m | 6.5412; 6.5412; 4.558 90; 90; 120 | 168.896 | 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 = 30 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9014157 | CIF | Al2 H4 Mn O10 Si2 | C c c a :2 | 13.831; 20.296; 5.121 90; 90; 90 | 1437.54 | Naumova, I. S.; Pobedimskaya, E. A.; Belov, N. V. Crystal structure of carpholite MnAl2(Si2O6)(OH)4 Kristallografiya, 1974, 19, 1155-1160 |
| 9014158 | CIF | Al0.82 Ca3 Cr1.15 O12 Si3 Ti0.03 | I a -3 d | 11.9204; 11.9204; 11.9204 90; 90; 90 | 1693.84 | Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V. The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R060477 American Mineralogist, 2011, 96, 1278-1290 |
| 9014159 | CIF | Al1.32 Ba0.02 F0.1 Fe0.18 H1.9 K0.84 Mg2.52 Mn0.12 Na0.07 O11.9 Si2.8 Ti0.03 | C 1 2/m 1 | 5.316; 9.221; 10.282 90; 99.9; 90 | 496.507 | Knurr, R. A.; Bailey, S. W. Refinement of Mn-substituted muscovite and phlogopite Sample: manganophyllite, type 1M Clays and Clay Minerals, 1986, 34, 7-16 |
| 9014160 | CIF | Al5.94 B3 Ca0.36 Cr0.18 Fe0.18 H4 Mg2.04 Na0.46 O31 Si5.64 Ti0.06 V1.11 | R 3 m :H | 15.967; 15.967; 7.191 90; 90; 120 | 1587.69 | Foit, F. F.; Rosenberg, P. E. The structure of vanadium-bearing tourmaline and its implications regarding tourmaline solid solutions American Mineralogist, 1979, 64, 788-798 |
| 9014162 | CIF | O3 Sn Sr | P b n m | 5.707; 5.707; 8.064 90; 90; 90 | 262.643 | Vegas, A.; Vallet-Regi M; Gonzalez-Calbet J M; Alario-Franco M A The ASnO3 (A = Ca, Sr) perovskites Acta Crystallographica, Section B, 1986, 42, 167-172 |
| 9014163 | CIF | Al6.09 B3 Ca0.05 F0.28 Fe0.12 H6.72 K0.01 Mg2.679 Na0.9 O30.72 Si6 Ti0.03 | R 3 m :H | 15.935; 15.935; 7.201 90; 90; 120 | 1583.54 | Ertl, A.; Marschall, H.; Geister, G.; Henry, D.; Schertl, H. P.; Ntaflos, T.; Luvizotto, G.; Nasdala, L.; Tillmanns, E. Metamorphic ultrahigh-pressure tourmaline: structure, chemistry, and correlations to P-T conditions American Mineralogist, 2010, 95, 1-10 |
| 9014164 | CIF | H8 Mn O8 S | P 1 21/n 1 | 5.9753; 13.8186; 8.0461 90; 90.826; 90 | 664.3 | Anderson, J. L.; Peterson, R. C.; Swainson, I. The atomic structure of deuterated boyleite ZnSO4*4D2O, ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O American Mineralogist, 2012, 97, 1905-1914 |
| 9014165 | CIF | Al1.46 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.1708; 8.1708; 8.1708 90; 90; 90 | 545.499 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 46,161 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014166 | CIF | Al2 Be3 O18 Si6 | P 6/m c c | 9.212; 9.212; 9.187 90; 90; 120 | 675.169 | 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 beryl Lithos, 1968, 1, 275-285 |
| 9014168 | CIF | Al7.194 B3 Ca0.66 F0.432 Fe0.093 H3.567 Li1.647 Mn0.051 Na0.272 O30.567 Pb0.005 Si6 Ti0.009 | R 3 m :H | 15.8368; 15.8368; 7.1014 90; 90; 120 | 1542.44 | 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: L26, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014172 | CIF | Bi2 Pb3 S6 | B b m m | 13.216; 20.163; 4.03 90; 90; 90 | 1073.89 | Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 3.73 GPa Note: occupancies not refined Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9014173 | CIF | H8 O12 S2 U | P n m a | 14.6464; 11.0786; 5.691 90; 90; 90 | 923.431 | Plasil, J.; Fejfarova, K.; Novak, M.; Dusek, M.; Skoda, R.; Hlousek, J.; Cejka, J.; Majzlan, J.; Sejkora, J.; Machovic, V.; Talla, D. Behounekite, U(SO4)2(H2O)4, From Jachymov (St Joachimsthal), Czech Republic: the first natural U4+ sulphate Mineralogical Magazine, 2011, 75, 2739-2753 |
| 9014174 | CIF | Fe5 Si3 | P 63/m c m | 6.7522; 6.7522; 4.74 90; 90; 120 | 187.154 | 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 = 0.0001 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9014175 | CIF | O2 Pb | P 42/m n m | 4.9577; 4.9577; 3.3879 90; 90; 90 | 83.27 | Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J. Structural studies of rutile-type metal dioxides Acta Crystallographica, Section B, 1997, 53, 373-380 |
| 9014177 | CIF | Al4 Ba0.08 Fe2.26 H4 Mg0.74 O26 P3.92 Sr1.92 V0.08 | P -1 | 5.457; 9.131; 9.769 108.47; 91.72; 97.44 | 456.5 | Leone, P.; Palvadeau, P.; Moelo, Y. Structure cristalline d'un nouvel hydroxyphosphate naturel de strontium, fer et aluminium (lulzacite), Sr2Fe(Fe0,63Mg0,37)2Al4(PO4)4(OH)10 Chimie de l'etat Solide et Cristallochimie, 2000, 3, 301-308 |
| 9014178 | CIF | Fe0.43 Pb2.01 S6 Sn2.56 | C -1 | 5.805; 5.856; 17.338 94.97; 88.45; 89.94 | 586.955 | Makovicky, E.; Petricek, V.; Dusek, M.; Topa, D. The crystal structure of franckeite, Pb21.7Sn9.3Fe4.0Sb8.1S56.9 American Mineralogist, 2011, 96, 1686-1702 |
| 9014179 | CIF | Ba O3 Ti | R 3 m :R | 4.0057; 4.0057; 4.0057 89.846; 89.846; 89.846 | 64.273 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 150 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9014180 | CIF | Fe2 H2 O10 Pb V2 | C 1 2/m 1 | 9.294; 6.166; 7.713 90; 115.57; 90 | 398.717 | Krause, W.; Belendorff, K.; Bernhardt, H. J.; McCammon, C. A.; Effenberger, H.; Mikenda, W. Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite European Journal of Mineralogy, 1998, 10, 179-206 |
| 9014181 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.3964; 7.3964; 15.8466 90; 90; 90 | 866.916 | 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 = 25 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9014184 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7511; 4.7511; 9.2648 90; 90; 90 | 209.134 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim24_q2, treated at 700 C for 120 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9014185 | CIF | Bi2 Pb3 S6 | P b n m | 11.026; 23.023; 4.0233 90; 90; 90 | 1021.32 | Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 5.27 GPa Note: occupancies not refined Note: phase known as beta-Pb3Bi2S6 Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9014186 | CIF | C Fe O3 | R -3 c :H | 4.485; 4.485; 13.19 90; 90; 120 | 229.774 | 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 P18_HS, P = 45.13 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9014189 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.4548; 11.4548; 11.4548 90; 90; 90 | 1503.01 | Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 273.6 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014190 | CIF | As0.04 Ca0.88 F0.73 H0.24 Na0.88 Nb0.14 O6 Pb0.02 Si0.12 Ta1.7 | F d -3 m :2 | 10.4396; 10.4396; 10.4396 90; 90; 90 | 1137.76 | Andrade, M. B.; Atencio, D.; Menezes, L. A. D.; Ellena, J. The crystal structure of a microlite-group mineral with a formula near NaCaTa2O6F from the Morro Redondo mine, Coronel Murta, Minas Gerias, Brazil The Canadian Mineralogist, 2011, 49, 615-621 |
| 9014191 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.4592; 11.4592; 11.4592 90; 90; 90 | 1504.74 | Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 322.8 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014192 | CIF | Al5.478 B3 Ca0.029 Fe3.522 Na0.971 O31 Si6 | R 3 m :H | 15.918; 15.918; 7.26 90; 90; 120 | 1593.1 | 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 bls2h2, heated a second time in air at 750 C for 72 h American Mineralogist, 2012, 97, 1402-1416 |
| 9014194 | CIF | Ca2.736 O12 Pb0.264 Te2 Zn2.871 | I a -3 d | 12.635; 12.635; 12.635 90; 90; 90 | 2017.09 | 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 |
| 9014195 | CIF | Al2 Co0.59 Mg0.41 O4 | F d -3 m :2 | 8.0943; 8.0943; 8.0943 90; 90; 90 | 530.32 | 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: CoAl45 American Mineralogist, 2012, 97, 1834-1840 |
| 9014197 | CIF | As4 H22 Mg3.5 O26 Zn1.5 | P -1 | 7.797; 11.44; 6.616 115.31; 95.77; 93.87 | 526.762 | Dorner, R.; Weber, K. Die Kristallstruktur von Chudobait, (Mg,Zn)5H2[AsO4]4*10H2O Note: many positional parameters were edited according to ICSD because they were missing negative signs Naturwissenschaften, 1976, 63, 243-243 |
| 9014202 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8303; 7.6011; 9.6292 90; 90.18; 90 | 353.54 | 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 = 160 K American Mineralogist, 2010, 95, 1413-1421 |
| 9014203 | CIF | Cr2 O3 | R -3 c :H | 4.785; 4.785; 13.162 90; 90; 120 | 260.986 | 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 = 29.6 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9014204 | CIF | C Fe O3 | R -3 c :H | 4.358; 4.358; 12.62 90; 90; 120 | 207.57 | 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 P24, P = 52.6 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9014205 | CIF | Ca0.978 H8 O10 Sr0.022 V2 | I 1 2/a 1 | 14.6389; 6.9591; 17.052 90; 102.568; 90 | 1695.52 | Kampf, A. R.; Marty, J.; Nash, B. P.; Plasil, J.; Kasatkin, A. V.; Skoda, R. Calciodelrioite, Ca(VO3)2(H2O)4, the Ca analogue of delrioite, Sr(VO3)2(H2O)4 Mineralogical Magazine, 2012, 76, 2803-2817 |
| 9014206 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.39533; 7.39533; 15.8482 90; 90; 90 | 866.752 | 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 = 100 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9014208 | CIF | Al8.517 B3.54 Be0.03 Ca0.241 Fe0.189 H3.32 Li0.342 Mg0.009 Mn0.006 Na0.48 O31 Si5.13 Ti0.009 | R 3 m :H | 15.7713; 15.7713; 7.076 90; 90; 120 | 1524.24 | 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: T2 American Mineralogist, 2004, 89, 447-454 |
| 9014209 | CIF | Cu4 H6 Mo2 O16 U | B 1 1 2/m | 19.8392; 5.5108; 6.1009 90; 90; 104.477 | 645.832 | Tali, R.; Tabachenko, V. V.; Kovba, L. M. Crystal structure of Cu4UO2(MoO4)2(OH)6 Russian Journal of Inorganic Chemistry, 1993, 38, 1350-1352 |
| 9014210 | CIF | Al2.32 As3 Ba0.51 Fe1.68 H4 O18 | P -4 3 m | 7.85; 7.85; 7.85 90; 90; 90 | 483.737 | Mills, S. J.; Rumsey, M. S.; Favreau, G.; Spratt, J.; Raudsepp, M.; Dini, M. Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile Mineralogical Magazine, 2011, 75, 135-144 |
| 9014211 | CIF | Cd Cu H3 N O6 | P 1 21/m 1 | 5.846; 6.613; 6.697 90; 99.44; 90 | 255.397 | Effenberger, H. CdCu(OH)3(NO3), a new layer compound Zeitschrift fur Kristallographie, 2002, 19, 85-85 |
| 9014212 | CIF | H3 K0.62 Na0.38 O10 Si2.5 U | C m m m | 7.092; 17.888; 7.113 90; 90; 90 | 902.367 | Baturin, S. V. Crystal-structure of weeksite Doklady Akademii Nauk SSSR, 1985, 282, 1132-1136 |
| 9014215 | CIF | Al8.697 B3.618 Be0.036 Ca0.29 Fe0.084 H3.41 K0.002 Li0.366 Mg0.006 Mn0.009 Na0.408 O31 Si4.992 Ti0.006 | R 3 m :H | 15.7537; 15.7537; 7.0707 90; 90; 120 | 1519.7 | 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: T1 American Mineralogist, 2004, 89, 447-454 |
| 9014216 | CIF | C Ca O3 | R -3 c :H | 4.9759; 4.9759; 17.4316 90; 90; 120 | 373.776 | 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 = 662 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014217 | CIF | Al1.37 Ba0.05 F0.16 Fe0.776 H1.34 K0.85 Mg2.224 Na0.07 O11.84 Si2.63 | C 1 2/m 1 | 5.3379; 9.2414; 10.2311 90; 100.023; 90 | 496.994 | Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F. Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_9 American Mineralogist, 2010, 95, 1458-1466 |
| 9014218 | CIF | As2 Pd | P a -3 | 5.9855; 5.9855; 5.9855 90; 90; 90 | 214.438 | 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 |
| 9014219 | CIF | As3 Ba0.5 Fe4 H16.32 O22.16 | P -4 2 m | 7.947; 7.947; 8.049 90; 90; 90 | 508.333 | 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-Q The Canadian Mineralogist, 2010, 48, 1477-1485 |
| 9014220 | CIF | B11 Ca0.62 H7 O22 Sr1.38 | C 1 c 1 | 6.607; 11.7125; 20.6848 90; 91.998; 90 | 1599.71 | Grice, J. D.; Pring, A. Veatchite: structural relationships of the three polytypes Note: moderate-T, high-P polytype veatchite-2M American Mineralogist, 2012, 97, 489-495 |
| 9014221 | CIF | Al7.203 B3 Ca0.63 F0.691 Fe0.123 H3.309 Li1.524 Mg0.069 Mn0.069 Na0.338 O30.309 Pb0.007 Si6 Ti0.012 | R 3 m :H | 15.8404; 15.8404; 7.1039 90; 90; 120 | 1543.69 | 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: L28, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014222 | CIF | Co F6 Np O3 | C 1 2 1 | 12.119; 6.908; 7.928 90; 92.84; 90 | 662.902 | Abazli, H.; Cousson, A.; Jove, J.; Pages, M.; Gasperin, M. Les composes Co Np F6 (H2 O)3 et Co U F6 (H2 O)3. Etude structurale, mesur des susceptibilites magnetiques et resonance Moessbauer (237 Np) _cod_database_code 1001329 Journal of the Less-Common Metals, 1984, 96, 23-33 |
| 9014223 | CIF | O4 Pb Se | P 1 21/n 1 | 7.154; 7.407; 6.954 90; 103.14; 90 | 358.842 | Effenberger, H.; Pertlik, F. Four monazite type structures: comparison of SrCrO4, SrSeO4, PbCrO4 (crocoite), and PbSeO4 Zeitschrift für Kristallographie, 1986, 176, 75-83 |
| 9014224 | CIF | B Ce O5 Si | P 31 | 6.85; 6.85; 6.7 90; 90; 120 | 272.262 | Voronkov, A. A.; Pyatenko, Y. A. X-ray diffraction study of the atomic structure of stillwellite CeBO[SiO4] Soviet Physics Crystallography, 1967, 12, 214-220 |
| 9014225 | CIF | Fe Nb0.2 O6 Ta1.8 | P 42/m n m | 4.7515; 4.7515; 9.254 90; 90; 90 | 208.925 | von Heidenstam, O. Neutron and X-ray diffraction studies on tapiolite and some synthetic substances of trirutile structure Note: Crystal A and B combined Arkiv for Kemi, 1968, 28, 375-387 |
| 9014226 | CIF | Al1.461 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.171; 8.171; 8.171 90; 90; 90 | 545.539 | 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 = 3069 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014227 | CIF | B11 Ca0.087 H7 O22 Sr1.913 | P -1 | 6.6378; 6.7387; 20.982 87.86; 82.696; 60.476 | 809.684 | Grice, J. D.; Pring, A. Veatchite: structural relationships of the three polytypes Note: low-T, low-P polytype veatchite-1A American Mineralogist, 2012, 97, 489-495 |
| 9014228 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8325; 7.6041; 9.63 90; 90.184; 90 | 353.87 | 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 = 220 K American Mineralogist, 2010, 95, 1413-1421 |
| 9014229 | CIF | Al1.36 Fe0.766 H1.597 K Mg2.234 O12 Si2.64 | C 1 2/m 1 | 5.3435; 9.253; 10.2458 90; 100.006; 90 | 498.882 | Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F. Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_15n American Mineralogist, 2010, 95, 1458-1466 |
| 9014230 | CIF | Ba O3 Ti | R 3 m :R | 4.0036; 4.0036; 4.0036 89.84; 89.84; 89.84 | 64.172 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 20 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9014231 | CIF | Fe | F m -3 m | 3.539; 3.539; 3.539 90; 90; 90 | 44.324 | 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 = 14.45 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014233 | CIF | H6 Mg O6 Si | P 1 21 1 | 5.1131; 5.1898; 7.3303 90; 90.03; 90 | 194.517 | 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 American Mineralogist, 2012, 97, 1043-1048 |
| 9014235 | CIF | Fe4 O5 | C m c m | 2.843; 9.7; 12.29 90; 90; 90 | 338.923 | Lavina, B.; Dera, P.; Kim, E.; Meng, Y.; Downs, R. T.; Weck, P. F.; Sutton, S. R.; Zhao, Y. Discovery of the recoverable high-pressure iron oxide Fe4O5 Note: P = 10 GPa Proceedings of the National Academy of Sciences, 2011, 108, 17281-17284 |
| 9014237 | CIF | C Fe O3 | R -3 c :H | 4.579; 4.579; 14.28 90; 90; 120 | 259.299 | 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 P8, P = 19.19 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9014240 | CIF | Ca4 H2 O11 Si3 | A m a 2 | 20.5805; 10.324; 9.1053 90; 90; 90 | 1934.6 | Armbruster, T.; Lazic, B.; Galuskina, I. O.; Galuskin, E. V.; Gnos, E.; Marzec, K. M.; Gazeev, V. M. Trabzonite, Ca4[Si3O9(OH)]OH: crystal structure, revised formula, new occurrence and relation to killalaite Mineralogical Magazine, 2012, 76, 455-472 |
| 9014242 | CIF | Ca3.64 O67.52 Si24 | I m m a | 20.326; 23.883; 12.836 90; 90; 90 | 6231.18 | 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 on release of pressure Note: assignment of site chemistry does not match chemical analysis American Mineralogist, 2010, 95, 1247-1256 |
| 9014243 | CIF | Fe4 O5 | C m c m | 2.87366; 9.694; 12.4116 90; 90; 90 | 345.753 | Woodland, A. B.; Frost, D. J.; Trots, D. M.; Klimm, K.; Mezouar, M. In situ observation of the breakdown of magnetite (Fe3O4) to Fe4O5 and hematite at high pressures and temperatures American Mineralogist, 2012, 97, 1808-1811 |
| 9014245 | CIF | Al5.636 As0.067 Bi0.06 Ca9.156 Cl0.064 Fe0.223 Mn0.864 O39 Si9 | P 4/n n c :2 | 15.5852; 15.5852; 11.7782 90; 90; 90 | 2860.91 | Groat, L. A.; Evans, R. J. Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden Note: sample vesuvianite 2 American Mineralogist, 2012, 97, 1627-1634 |
| 9014246 | CIF | Al Ca2 F7 H2 O | C -1 | 9.4227; 6.967; 9.2671 90.974; 104.802; 90.026 | 588.085 | Kampf, A. R.; Colombo, F.; Gonzalez del Tanago, J. Carlhintzeite, Ca2AlF7*H2O, from the Gigante granitic pegmatite, Cordoba province, Argentina: description and crystal structure Mineralogical Magazine, 2010, 74, 623-632 |
| 9014250 | CIF | Pb10.159 S22 Sb7.841 | P 1 21/a 1 | 21.554; 23.454; 8.079 90; 100.76; 90 | 4012.35 | Kaden, R.; Wagner, G.; Bente, K. Crystal chemistry and electrical conductivity of boulangerite, dadsonite and iodine-substituted pillaite grown by chemical vapor transport The Canadian Mineralogist, 2012, 50, 219-233 |
| 9014252 | CIF | As2 O3 | P 1 21/n 1 | 4.546; 13.0012; 5.342 90; 94.329; 90 | 314.83 | Origlieri, M. J.; Downs, R. T.; Carducci, M. D.; Rosso, K. M.; Gibbs, G. V. Crystal structure and bonding in the new mineral AsSbO3 General Meeting of the International Mineralogical Association, 2006, 19, 142-142 |
| 9014254 | CIF | Al1.609 Fe0.389 Mg1.002 O4 | F d -3 m :2 | 8.1469; 8.1469; 8.1469 90; 90; 90 | 540.726 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014255 | CIF | Al H24 K1.3 O20 S2 | P a -3 | 12.157; 12.157; 12.157 90; 90; 90 | 1796.71 | 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 |
| 9014256 | CIF | H8 O8 S Zn | P 1 21/n 1 | 5.9144; 13.5665; 7.8924 90; 90.688; 90 | 633.222 | Anderson, J. L.; Peterson, R. C.; Swainson, I. The atomic structure of deuterated boyleite ZnSO4*4D2O, ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O American Mineralogist, 2012, 97, 1905-1914 |
| 9014258 | CIF | Al3 H13 O16 P2 | P -1 | 7.386; 7.716; 11.345 99.773; 91.141; 115.58 | 571.551 | Kampf, A. R.; Mills, S. J.; Rossman, G. R.; Steele, I. M.; Pluth, J. J.; Favreau, G. Afmite, Al3(OH)4(H2O)3(PO4)(PO3OH)*H2O,a new mineral from Fumade, Tarn, France: description and crystal structure T = 298 K European Journal of Mineralogy, 2011, 23, 269-277 |
| 9014261 | CIF | Cr2 O3 | R -3 c :H | 4.737; 4.737; 13.071 90; 90; 120 | 254.007 | 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 = 39.7 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9014264 | CIF | Ge O2 | P 32 2 1 | 4.8546; 4.8546; 5.5943 90; 90; 120 | 114.178 | Yamanaka, T.; Ogata, K. Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 3.55 GPa T = 293 K Note: quartz structure Journal of Applied Crystallography, 1991, 24, 111-118 |
| 9014265 | CIF | As Cu S | P n m a | 11.356; 3.754; 5.453 90; 90; 90 | 232.464 | Marumo, F.; Nowacki, W. The crystal structure of lautite and of sinnerite, a new mineral from the Lengenbach Quarry Schweizerische Mineralogische und Petrographische Mitteilungen, 1964, 44, 439-454 |
| 9014266 | CIF | Al2 Ca0.375 H4 O10 Si2 Sr0.625 | P 1 21/m 1 | 5.3849; 13.2377; 5.8489 90; 124.35; 90 | 344.221 | 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 #AU47 American Mineralogist, 2010, 95, 724-735 |
| 9014267 | CIF | Be O | P 63 m c | 2.6776; 2.6776; 4.3454 90; 90; 120 | 26.981 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 5.0 GPa Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9014269 | CIF | Cr2 O3 | R -3 c :H | 4.9233; 4.9233; 13.4953 90; 90; 120 | 283.286 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 40.6 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9014270 | CIF | Fe9.966 Na1.608 O17.97 Zn0.99 | R -3 m :H | 5.9401; 5.9401; 35.731 90; 90; 120 | 1091.85 | Nicolopoulos, S.; Vincent, H.; Anne, M.; Joubert, J. Variation in crystal structure, ionic conductivity and magnetic properties with the water uptake of a new hydrated sodium beta ferrite _cod_database_code 1008479 Journal of Solid State Chemistry, 1990, 87, 298-307 |
| 9014271 | CIF | Al2 Ca0.07 F2 Fe0.04 H10 Mg0.01 Mn0.87 O13 P2 Zn0.01 | P -1 | 9.887; 9.796; 6.054 92.7; 99.83; 97.1 | 571.913 | Birch, W. D.; Grey, I. E.; Mills, S. J.; Pring, A.; Bougerol, C.; Ribabldi-Tunnicliffe A; Wilson, N. C.; Keck, E. Nordgauite, MnAl2(PO4)2(F,OH)2*5H2O, a new mineral from the Hagendorf-Sud pegmatite, Bavaria, Germany: description and crystal structure Mineralogical Magazine, 2011, 75, 269-278 |
| 9014273 | CIF | Ba O3 Ti | P 4 m m | 3.986; 3.986; 4.026 90; 90; 90 | 63.966 | Shirane, G.; Danner, H.; Pepinsky, R. Neutron diffraction study of orthorhombic BaTiO3 Note: tetragonal structure Physical Review, 1957, 105, 856-860 |
| 9014275 | CIF | Ca3 O9 Si2 Ti0.14 Zr0.86 | P 1 21/a 1 | 10.432; 10.163; 7.356 90; 90.96; 90 | 779.777 | Biagioni, C.; Bonaccorsi, E.; Perchiazzi, N.; Merlino, S. Single crystal refinement of the structure of baghdadite from Fuka (Okayama Prefecture, Japan) Periodico di Mineralogia, 2010, 79, 1-9 |
| 9014276 | CIF | Ca3.44 Ce0.5 F2.96 Fe0.02 Gd0.04 La0.16 Mn0.02 Na2.3 Nb0.34 Nd0.24 O15.04 Pr0.06 Si4 Sm0.04 Sr0.02 Ti0.6 Y0.08 Zr0.06 | P 1 21/c 1 | 7.4414; 5.6628; 18.8315 90; 101.383; 90 | 777.934 | 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 2909 Mineralogical Magazine, 2011, 75, 2755-2774 |
| 9014277 | CIF | Cu2.937 H26 O34 S2 U4 | P -1 | 8.6744; 8.8692; 10.009 72.105; 70.544; 76.035 | 682.606 | Plasil, J.; Fejfarova, K.; Wallwork, K. S.; Dusek, M.; Skoda, R.; Sejkora, J.; Cejka, J.; Veselovsky, F.; Hlousek, J.; Meisser, N.; Brugger, J. Crystal structure of pseudojohannite, with a revised formula, Cu3(OH)2[(UO2)4O4(SO4)2](H2O)12 American Mineralogist, 2012, 97, 1796-1803 |
| 9014278 | CIF | H6 Mg3.592 O19 Si6 | P n c n | 13.2608; 27.0559; 5.2671 90; 90; 90 | 1889.74 | Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G Variability in sepiolite: Diffraction studies Note: Sample BAT225 Note: T = 225 C American Mineralogist, 2011, 96, 1443-1454 |
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