Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9013953 | CIF | Al0.08 Ba5.22 Ca0.58 F6.02 Fe10.08 H7.98 K0.68 Mg0.16 Mn5.12 Na2.58 Nb0.48 O71.98 Si16 Ti7.44 Zr0.16 | C -1 | 10.6965; 13.7861; 21.478 99.345; 92.315; 89.993 | 3122.56 | Camara, F.; Sokolova, E.; Nieto, F. Camaraite, Ba3NaTi4(Fe2+,Mn)8(Si2O7)4O4(OH,F)7. II. The crystal structure and crystal chemistry of a new group-II Ti-disilicate mineral Locality: the Verkhnee Espe alkaline deposit, Akjailyautas Mountains, Kazakhstan Mineralogical Magazine, 2009, 73, 855-870 |
| 9013954 | CIF | Cd1.89 Cu3 H22.02 O18 S2 Zn0.11 | P 1 21/c 1 | 10.863; 13.129; 11.169 90; 113.04; 90 | 1465.86 | Elliot, P.; Brugger, J.; Caradoc-Davies T Description and crystal structure of a new mineral, edwardsite, Cu3Cd2(SO4)2(OH)6·4H2O, from Broken Hill, New South Wales, Australia Mineralogical Magazine, 2010, 74, 39-53 |
| 9013955 | CIF | Ag4.925 Cu3.075 S4 | P n m a | 14.047; 7.805; 15.691 90; 90; 90 | 1720.31 | Kolitsch, U. The crystal structure and compositional range of mckinstryite Mineralogical Magazine, 2010, 74, 73-84 |
| 9013956 | CIF | Ca3.548 Ce1.299 F1.41 H0.63 La0.6 Na1.999 Nd0.25 O24.63 P5.799 Si0.201 Sr2.301 | P -3 | 9.51; 9.51; 7.01 90; 90; 120 | 549.047 | Rastsvetaeva, R. F.; Khomyakov, A. P. Crystal structure of deloneite-(Ce), high ordered Ca analogue of belovite Doklady Akademii Nauk SSSR, 1996, 349, 354-357 |
| 9013957 | CIF | Co0.005 Cu0.08 Fe0.91 Ir2.913 Ni0.005 Os0.003 Pt0.072 Rh0.012 | P m -3 m | 3.792; 3.792; 3.792 90; 90; 90 | 54.526 | Zuxiang, Y. Chengdeite - ordered natural iron-iridium alloy Acta Geologica Sinica, 1995, 69, 215-220 |
| 9013958 | CIF | Bi4 S3 | R -3 m :H | 4.15; 4.15; 39.19 90; 90; 120 | 584.524 | Kato, A. Ikunolite, a new bismuth mineral from the Ikuno mine, Japan Mineralogical Journal, 1959, 2, 397-407 |
| 9013959 | CIF | Ca Fe3 O5 | C m c m | 3.021; 10.009; 12.643 90; 90; 90 | 382.289 | Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R. Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance Journal of Solid State Chemistry, 1980, 35, 112-119 |
| 9013960 | CIF | Ca Fe4 O6 | C m c m | 3.05; 9.986; 15.321 90; 90; 90 | 466.636 | Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R. Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance Journal of Solid State Chemistry, 1980, 35, 112-119 |
| 9013961 | CIF | Ca Fe5 O7 | C m c m | 3.052; 10.041; 17.966 90; 90; 90 | 550.57 | Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R. Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance Journal of Solid State Chemistry, 1980, 35, 112-119 |
| 9013962 | CIF | Cu3 H4 O8 S | P n m a | 8.289; 6.079; 12.057 90; 90; 90 | 607.538 | Vilminot, S.; Richard-Plouet M; Andre, G.; Swierczynski, D.; Guillot, M.; Bouree-Vigneron F; Drillon, M. Magnetic structure and properties of Cu3(OH)4SO4 made of triple chains of spins s=1/2, Journal of Solid State Chemistry, 2003, 170, 255-264 |
| 9013963 | CIF | Al1.05 Ca3 Fe0.93 O12 Si0.93 Zr2 | I a -3 d | 12.5122; 12.5122; 12.5122 90; 90; 90 | 1958.85 | Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J. The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic Journal of Solid State Chemistry, 2007, 180, 785-791 |
| 9013964 | CIF | Al0.48 Ca3 Fe1.44 O12 Si0.81 Zr2 | I a -3 d | 12.5844; 12.5844; 12.5844 90; 90; 90 | 1992.95 | Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J. The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic Journal of Solid State Chemistry, 2007, 180, 785-791 |
| 9013965 | CIF | Ca3 Fe1.95 O12 Si0.93 Zr2 | I a -3 d | 12.6164; 12.6164; 12.6164 90; 90; 90 | 2008.2 | Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J. The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic Journal of Solid State Chemistry, 2007, 180, 785-791 |
| 9013966 | CIF | Al1.23 Ca3 Fe0.99 Hf2 O12 Si0.99 | I a -3 d | 12.5145; 12.5145; 12.5145 90; 90; 90 | 1959.93 | Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J. The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic Journal of Solid State Chemistry, 2007, 180, 785-791 |
| 9013967 | CIF | Ca3 Fe2.16 Hf2 O12 Si0.99 | I a -3 d | 12.5898; 12.5898; 12.5898 90; 90; 90 | 1995.52 | Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J. The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic Journal of Solid State Chemistry, 2007, 180, 785-791 |
| 9013968 | CIF | C0.38 H6.92 As0.3 Mg6.68 O18.62 P3.32 | P 63 m c | 12.467; 12.467; 5.0437 90; 90; 120 | 678.897 | Raade, G.; Romming, C.; Medenbach, O. Carbonate-substituted phosphoellenbergerite from Modum, Norway: description and crystal structure Mineralogy and Petrology, 1998, 62, 89-101 |
| 9013969 | CIF | C3 K4 O11 U | C 1 2/c 1 | 10.247; 9.202; 12.226 90; 95.11; 90 | 1148.24 | Anderson, A.; Chieh, C.; Irish, D. E.; Tong, J. P. K. An X-ray crystallographic, Raman, and infrared spectral study of crystalline potassium uranyl carbonate, K4UO2(CO3)3 Canadian Journal of Chemistry, 1980, 58, 1651-1658 |
| 9013970 | CIF | Mn Si | P 21 3 | 4.5559; 4.5559; 4.5559 90; 90; 90 | 94.563 | Jorgensen, J. E.; Rasmussen, S. E. Refinement of the structure of MnSi by powder diffraction Powder Diffraction, 1991, 6, 194-195 |
| 9013971 | CIF | Mn Si | P 21 3 | 4.55613; 4.55613; 4.55613 90; 90; 90 | 94.578 | Jorgensen, J. E.; Rasmussen, S. E. Refinement of the structure of MnSi by powder diffraction Powder Diffraction, 1991, 6, 194-195 |
| 9013972 | CIF | Mn Si | P 21 3 | 4.55643; 4.55643; 4.55643 90; 90; 90 | 94.596 | Jorgensen, J. E.; Rasmussen, S. E. Refinement of the structure of MnSi by powder diffraction Powder Diffraction, 1991, 6, 194-195 |
| 9013973 | CIF | Cl2 Hg7 O3 | P b m a | 11.777; 13.891; 6.46 90; 90; 90 | 1056.82 | Roberts, A. C.; Grice, J. D.; Gault, R. A.; Criddle, A. J.; Erd, R. C. Hanawaltite, Hg1+6Hg2+[Cl,(OH)]2O3 - A new mineral from the Clear Creek claim, San Benito County, California: Description and crystal structure Powder Diffraction, 1996, 11, 45-50 |
| 9013974 | CIF | Ca2.5 H11 O12.5 Si3 | B 1 1 b | 6.735; 7.425; 27.987 90; 90; 123.25 | 1170.43 | Bonaccorsi, E.; Merlino, S. The crystal of tobermorite 14 A (plombierite) a CSH phase Journal of the American Ceramic Society, 2005, 88, 505-512 |
| 9013975 | CIF | Mn Ni6 O8 | F m -3 m | 8.32; 8.32; 8.32 90; 90; 90 | 575.93 | Taguchi, H. Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.0 Solid State Communications, 1998, 108, 635-639 |
| 9013976 | CIF | Mn0.8 Ni6.4 O8 | F m -3 m | 8.3271; 8.3271; 8.3271 90; 90; 90 | 577.406 | Taguchi, H. Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.2 Solid State Communications, 1998, 108, 635-639 |
| 9013977 | CIF | Mn0.6 Ni6.8 O8 | F m -3 m | 8.3368; 8.3368; 8.3368 90; 90; 90 | 579.426 | Taguchi, H. Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.4 Solid State Communications, 1998, 108, 635-639 |
| 9013978 | CIF | Mn0.4 Ni7.2 O8 | F m -3 m | 8.343; 8.343; 8.343 90; 90; 90 | 580.72 | Taguchi, H. Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.6 Solid State Communications, 1998, 108, 635-639 |
| 9013979 | CIF | Mn0.2 Ni7.6 O8 | F m -3 m | 8.3495; 8.3495; 8.3495 90; 90; 90 | 582.078 | Taguchi, H. Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.8 Solid State Communications, 1998, 108, 635-639 |
| 9013980 | CIF | Ni0.995 O | F m -3 m | 8.3532; 8.3532; 8.3532 90; 90; 90 | 582.852 | Taguchi, H. Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 1.0 Solid State Communications, 1998, 108, 635-639 |
| 9013981 | CIF | Ca3.3 Ce0.3 F0.667 H0.333 Na0.3 O12.333 P3 Sr1.1 | P 63 | 9.485; 9.485; 7 90; 90; 120 | 545.385 | Rastsvetaeva, R. K.; Khomyakov, A. P. Structural features of a new naturally occurring representative of the fluorapatite-deloneite series Crystallography Reports, 1996, 41, 789-792 |
| 9013982 | CIF | Al2 Be2 Cs0.75 H6 Li Na0.226 O18.285 Si6 | R -3 c :H | 15.955; 15.955; 27.81 90; 90; 120 | 6130.91 | Yakubivich, O. V.; Pekov, I. V.; Steele, I. M.; Massa, W.; Chukanov, N. V. Alkali metals in beryl and their role in the formation of derivative structural motifs: Comparative crystal chemistry of vorobyevite and pezzottaite Locality: Sakavalana granitic pegmatite, Antsirabe, Fianarantsoa Province, Madagascar Note: T = 100 K Crystallography Reports, 2009, 54, 399-412 |
| 9013983 | CIF | Al2 Be2.34 Cs0.079 H2 Li0.66 Na0.419 O18.19 Si6 | P 6/m c c | 9.2101; 9.2101; 9.2179 90; 90; 120 | 677.16 | Yakubivich, O. V.; Pekov, I. V.; Steele, I. M.; Massa, W.; Chukanov, N. V. Alkali metals in beryl and their role in the formation of derivative structural motifs: Comparative crystal chemistry of vorobyevite and pezzottaite Locality: Lipovka pegmatite field, Rezh District, Central Urals, Urals Region, Russia Note: T = 100 K Note: variety vorobyevite Note: Coordinates of O1 and O2 corrected by Yakubivich Crystallography Reports, 2009, 54, 399-412 |
| 9013984 | CIF | Ca3 H6 O10 Si2 | P 1 | 16.33; 5.6389; 11.685 90.08; 126.446; 89.95 | 865.546 | Rastsvetaeva, R. K.; Chukanov, N. V.; Zadov, A. E. Refined structure of afwillite from the northern Baikal region Crystallography Reports, 2009, 54, 418-422 |
| 9013985 | CIF | Al0.26 Be2 Ca Fe0.97 H8.5 Mg1.61 Mn0.18 O17 P3 | C 1 2/c 1 | 15.876; 11.86; 6.607 90; 95.49; 90 | 1238.32 | Rastsvetaeva, R. K.; Rozenberg, K. A.; Chukanov, N. V.; Mockel, S. The crystal structure of an iron-rich variety of zanazziite belonging to heteropolyhedral framework roscherite-group beryllophosphates Crystallography Reports, 2009, 54, 568-571 |
| 9013986 | CIF | Ca10.381 O28 P7 Th0.119 | R 3 c :H | 10.4372; 10.4372; 37.4876 90; 90; 120 | 3536.6 | Orlova, A. I.; Khainakov, S. A.; Loginova, E. E.; Oleneva, T. A.; Garcia Granda, S.; Kurazhkovskaya, V. S. Calcium thorium phosphate (whitlockite-type mineral). Synthesis and structure refinement Crystallography Reports, 2009, 54, 591-597 |
| 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 |
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