Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9017800 | CIF | Al2 B Ca1.3 H Mn1.7 O16 Si4 | P -1 | 7.165; 9.12; 8.947 91.9; 98.8; 76.9 | 562.721 | Basso, R.; Della Giusta, A.; Vlaic, G. La struttura della tinzenite Periodico di Mineralogia, 1973, 425, 369-379 |
| 9017801 | CIF | Li | I m -3 m | 3.47851; 3.47851; 3.47851 90; 90; 90 | 42.09 | Berliner, R.; Fajen, O.; Smith, H. G.; Hitterman, R. L. Neutron powder-diffraction studies of lithium, sodium and potassium metal Note: Body-centered cubic, T = 20 K Physical Review, 1989, 12086-12097 |
| 9017802 | CIF | Li | R -3 m :H | 3.101; 3.101; 22.7649 90; 90; 120 | 189.583 | Berliner, R.; Fajen, O.; Smith, H. G.; Hitterman, R. L. Neutron powder-diffraction studies of lithium, sodium and potassium metal Note: Hexagonal closest-packed, T = 20 K Physical Review, 1989, 12086-12097 |
| 9017803 | CIF | Fe7 S8 | C 1 2/c 1 | 11.8656; 6.8482; 12.8958 90; 118.075; 90 | 924.584 | Powell, A. V.; Vaqueiro, P.; Knight, K. S.; Chapon, L. C.; Sanchez, R. D. Structure and magnetism in synthetic pyrrhotite Fe7S8: A powder neutron-diffraction study Note: T = 11 K Physical Review, 2004, 014415-014412 |
| 9017804 | CIF | Fe7 S8 | C 1 2/c 1 | 11.9258; 6.8822; 12.9245 90; 118.015; 90 | 936.49 | Powell, A. V.; Vaqueiro, P.; Knight, K. S.; Chapon, L. C.; Sanchez, R. D. Structure and magnetism in synthetic pyrrhotite Fe7S8: A powder neutron-diffraction study Note: T = 298 K Physical Review, 2004, 014415-014412 |
| 9017805 | CIF | Cr Fe0.003 O4 Pb0.997 | P 1 21/n 1 | 7.098; 7.41; 6.779 90; 102.4; 90 | 348.232 | Bandiello, E.; Errandonea, D.; Martinez-Garcia D; Santamaria-Perez D; Manjon, F. J. Effects of high-pressure on the structural, vibrational, and electronic properties of monzanite-type PbCrO4 Physical Review, 2012, 024108-024110 |
| 9017806 | CIF | Cl Cu2 H3 O3 | P n m a | 6.02797; 6.86383; 9.11562 90; 90; 90 | 377.158 | Zheng, X. G.; Mori, T.; Nishiyama, K.; Higemoto, W.; Yamada, H.; Nishikubo, K.; Xu, C. N. Antiferromagnetic transitions in polymorphous minerals of the natural cuprates atacamite and botallackite Cu2Cl(OH)3 Physical Review B - Condensed Matter, 2005, 71, 174404-174408 |
| 9017807 | CIF | Cl Cu2 H3 O3 | P 1 21/m 1 | 5.7165; 6.1182; 5.6283 90; 93.1161; 90 | 196.557 | Zheng, X. G.; Mori, T.; Nishiyama, K.; Higemoto, W.; Yamada, H.; Nishikubo, K.; Xu, C. N. Antiferromagnetic transitions in polymorphous minerals of the natural cuprates atacamite and botallackite Cu2Cl(OH)3 Physical Review B - Condensed Matter, 2005, 71, 174404-174408 |
| 9017808 | CIF | Al7 Ca6 F0.87 O16 | I -4 3 d | 11.96269; 11.96269; 11.96269 90; 90; 90 | 1711.93 | Costa, U.; Ballirano, P. Improved powder X-ray data for the cement phase Ca12Al14O32F2 (C11A7f) Powder Diffraction, 2000, 15, 56-61 |
| 9017809 | CIF | Ca O4 S | A m m a | 7.00032; 6.99234; 6.24097 90; 90; 90 | 305.487 | Antao, S. Crystal-structure analysis of four mineral samples of anhydrite, Ca(SO4), using synchrotron high-resolution powder X-ray diffraction data Powder Diffraction, 2011, 26, 326-330 |
| 9017810 | CIF | Ca O4 S | A m m a | 7.00071; 6.99274; 6.24125 90; 90; 90 | 305.535 | Antao, S. Crystal-structure analysis of four mineral samples of anhydrite, Ca(SO4), using synchrotron high-resolution powder X-ray diffraction data Powder Diffraction, 2011, 26, 326-330 |
| 9017811 | CIF | Ca O4 S | A m m a | 7.00136; 6.99339; 6.24171 90; 90; 90 | 305.614 | Antao, S. Crystal-structure analysis of four mineral samples of anhydrite, Ca(SO4), using synchrotron high-resolution powder X-ray diffraction data Powder Diffraction, 2011, 26, 326-330 |
| 9017812 | CIF | Fe0.07 Mg0.93 O3 Si | C m c m | 2.466; 8.13; 6.108 90; 90; 90 | 122.457 | Zhang, L.; Meng, Y.; Dera, P.; Yang, W.; Mao, W. L.; Mao, H.-K. Single-crystal structure determination of (Mg,Fe)SiO3 postperovskite Note: P = 120 GPa Proceedings of the National Academy of Sciences, 2013, 110, 6292-6295 |
| 9017813 | CIF | C H12 Ca2 Mg3 Na O21 P3 | P 1 21/c 1 | 6.4784; 12.2313; 21.3494 90; 89.624; 90 | 1691.67 | Krivovichev, S. V.; Chernyatieva, A. P.; Britvin, S. N.; Yakovenchuk, V. N. The crystal structure of girvasite, NaCa2Mg3(PO4)3(CO3)(H2O)6, a complex phosphate-carbonate hydrate based upon electroneutral heteropolyhedral layers Note: T = 173 K Russian Geology and Geophysics, 2015, 56, 155-163 |
| 9017814 | CIF | Al0.9 Fe0.04 K0.895 Na0.105 O8 Si3.06 | C 1 2/m 1 | 8.5832; 13.0076; 7.1943 90; 116.023; 90 | 721.789 | Ackermann, S.; Kunz, M.; Armbruster, T.; Schefer, J.; Hanni, H. Cation distribution in a Fe-bearing K-feldspar from Itrongay, Madagascar: A combined neutron- and X-ray single-crystal diffraction study Note: Combined X-Ray, Neutron diffraction data, cell parameters from X-Ray data Schweizerische Mineralogische und Petrographische Mitteilungen, 2004, 84, 345-354 |
| 9017815 | CIF | Al0.9 Fe0.04 K0.895 Na0.105 O8 Si3.06 | C 1 2/m 1 | 8.5832; 13.0076; 7.1943 90; 116.023; 90 | 721.789 | Ackermann, S.; Kunz, M.; Armbruster, T.; Schefer, J.; Hanni, H. Cation distribution in a Fe-bearing K-feldspar from Itrongay, Madagascar: A combined neutron- and X-ray single-crystal diffraction study Note: X-Ray diffraction data, occupancies taken from simultaneous data Schweizerische Mineralogische und Petrographische Mitteilungen, 2004, 84, 345-354 |
| 9017816 | CIF | Al0.9 Fe0.04 K0.895 Na0.105 O8 Si3.06 | C 1 2/m 1 | 8.5992; 13.0277; 7.1926 90; 116.056; 90 | 723.877 | Ackermann, S.; Kunz, M.; Armbruster, T.; Schefer, J.; Hanni, H. Cation distribution in a Fe-bearing K-feldspar from Itrongay, Madagascar: A combined neutron- and X-ray single-crystal diffraction study Note: Neutron diffraction data, occupancies taken from simultaneous data Schweizerische Mineralogische und Petrographische Mitteilungen, 2004, 84, 345-354 |
| 9017817 | CIF | C13.117 Cr11.515 Fe12.355 Ni2.867 | P 63 m c | 13.839; 13.839; 4.496 90; 90; 120 | 745.704 | Shi, N.; Ma, Z.; Xiong, M.; Dai, M.; Bai, W.; Fang, Q.; Yan, B.; Yang, J. The crystal structure of (Fe4Cr4Ni)9C4 Science in China, 2005, 48, 338-345 |
| 9017818 | CIF | Fe3 H14.472 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 Solid State Sciences, 2003, 5, 327-334 |
| 9017819 | CIF | Ba3 O8 V2 | R -3 m :H | 5.7733; 5.7733; 21.339 90; 90; 120 | 615.961 | Mugavero, S. J.; Bharathy, M.; McAlum, J.; Loye, H. C. Crystal growth of alkaline earth vanadates from hydroxide fluxes Solid State Sciences, 2008, 10, 370-376 |
| 9017820 | CIF | Ba5 H O13 V3 | P 63/m | 10.4589; 10.4589; 7.8476 90; 90; 120 | 743.429 | Mugavero, S. J.; Bharathy, M.; McAlum, J.; Loye, H. C. Crystal growth of alkaline earth vanadates from hydroxide fluxes Solid State Sciences, 2008, 10, 370-376 |
| 9017821 | CIF | H O13 Sr5 V3 | P 63/m | 10.057; 10.057; 7.4349 90; 90; 120 | 651.242 | Mugavero, S. J.; Bharathy, M.; McAlum, J.; Loye, H. C. Crystal growth of alkaline earth vanadates from hydroxide fluxes Solid State Sciences, 2008, 10, 370-376 |
| 9017822 | CIF | Ba K O4 V | P n m a | 7.802; 5.908; 10.376 90; 90; 90 | 478.274 | Mugavero, S. J.; Bharathy, M.; McAlum, J.; Loye, H. C. Crystal growth of alkaline earth vanadates from hydroxide fluxes Solid State Sciences, 2008, 10, 370-376 |
| 9017823 | CIF | Ag1.468 Cu1.918 Fe0.022 Te | F d -3 c :1 | 12.1987; 12.1987; 12.1987 90; 90; 90 | 1815.27 | Bindi, L. Chemical and structural characterization of henryite, (Cu,Ag)3+xTe2 (x ~ 0.40): A new structure type in the (Ag)-Cu-Te system Solid State Sciences, 2014, 38, 108-111 |
| 9017824 | CIF | Ba H2 Mn2 O10 Si2 Ti | P 1 21/m 1 | 5.361; 6.906; 12.556 90; 119.8; 90 | 403.391 | Rastsvetaeva, R. K.; Tamazyan, R. A.; Sokolova, E. V.; Belakovskii, D. I. Crystal structures of two modifications of natural Ba, Mn-titanosilicate Note: sample I Soviet Physics Crystallography, 1991, 36, 186-189 |
| 9017825 | CIF | Ba H2 Mn2 O10 Si2 Ti | C 1 m 1 | 10.7232; 13.812; 12.563 90; 119.9; 90 | 1613.03 | Rastsvetaeva, R. K.; Tamazyan, R. A.; Sokolova, E. V.; Belakovskii, D. I. Crystal structures of two modifications of natural Ba, Mn-titanosilicate Note: sample II Soviet Physics Crystallography, 1991, 36, 186-189 |
| 9017826 | CIF | Ca O4 S | B b m m | 6.23; 6.98; 6.97 90; 90; 90 | 303.093 | Hohne, E. A more accurate determination of the crystal structure of anhydrite, CaSO4 Soviet Physics Crystallography, 1962, 7, 559-569 |
| 9017827 | CIF | Na2 O13 Si4 Ti2 | A 1 2/a 1 | 5.35; 8.56; 24.22 90; 101; 90 | 1088.8 | Rastsvetaeva, R. K.; Simonov, V. I.; Belov, N. V. Crystal structure of vinogradovite Na4Ti4[Si2O6]2[Si4O10]O4*nH2O Soviet Physics Doklady, 1968, 12, 1090-1092 |
| 9017828 | CIF | C2 H6 B4 Ca4 Mg O18 | A 1 1 2/m | 4.445; 17.843; 8.378 90; 90; 101.94 | 650.101 | Yamnova, N. A.; Simonov, M. A.; Kazanskaya, E. V.; Belov, N. V. Refinement of the crystal structure of the Ca, Mg-carbonatoborate borcarite Ca4Mg/B4O6(OH)6/(CO3)2 Soviet Physics Doklady, 1975, 20, 799-801 |
| 9017829 | CIF | H Na4 O10 Si2 Ti1.75 | P m m a | 9.827; 9.167; 4.799 90; 90; 90 | 432.314 | Sokolova, E. V.; Yamnova, N. A.; Egorov-Tismenko Y K; Khomyakov, A. P. Crystal structure of a new mineral Na8Ti3.5O2(OH)2[SiO4]4 - a polymorphous modification of natisite Soviet Physics Doklady, 1985, 30, 822-825 |
| 9017830 | CIF | C4 Al N O12 Si5 | I 2 2 2 | 8.984; 8.937; 8.927 90; 90; 90 | 716.749 | Sokolova, E. V.; Rybakov, V. B.; Pautov, L. A. The crystal structure of a new natural tetramethylammonium aluminosilicate [N(CH3)4][Si2(Si0.5Al0.5)O6]2 Note: H atoms not located Soviet Physics Doklady, 1991, 36, 267-269 |
| 9017831 | CIF | Al K0.85 Na0.15 O8 Si3 | C 1 2/m 1 | 8.539; 13.015; 7.179 90; 115.99; 90 | 717.154 | Brown, G. E.; Hamilton, W. C.; Prewitt, C. T.; Sueno, S. Neutron diffraction study of Al/Si ordering in sanidine: a comparison with X-ray diffraction data The Feldspars: Proceedings of a NATO Advanced Study Institute, 1974, 68-80 |
| 9017832 | CIF | Al2 H32.8 O28.4 S3 | P -1 | 7.425; 26.975; 6.0608 90.03; 97.66; 91.94 | 1202.38 | Menchetti, S.; Sabelli, C. Alunogen. Its structure and twinning Tschermaks Mineralogische und Petrographische Mitteilungen, 1974, 21, 164-178 |
| 9017833 | CIF | As0.44 Bi3 H O10 P0.45 V1.1 | P -1 | 6.909; 7.401; 9.399 110.72; 106.05; 92.2 | 427.008 | Walenta, K.; Dunn, P. J.; Hentschel, G.; Mereiter, K. Schumacherit, ein neues Wismutmineral von Schneeberg in Sachsen Note: structure determined after the paper was published: Schumacherite, Bi3O(OH)((V0.55,As0.22,P0.23)O4)2, using a triclinic reduced cell instead of the non-reduced cell applied in the publication Tschermaks Mineralogische und Petrographische Mitteilungen, 1983, 31, 165-173 |
| 9017834 | CIF | As Cu H O5 Pb | P 21 21 21 | 7.77; 9.209; 5.995 90; 90; 90 | 428.966 | Sokolova, E. V.; Egorov-Tismenko Y K Study of crystalline structures of rare arsenates: duftite and mimetite Vestnik Moskovskogo Universiteta Geologiya, 1982, 37, 50-56 |
| 9017835 | CIF | As3 Cl O12 Pb5 | P 63/m | 10.248; 10.248; 7.441 90; 90; 120 | 676.769 | Sokolova, E. V.; Egorov-Tismenko Y K Study of crystalline structures of rare arsentates: duftite and mimetite Vestnik Moskovskogo Universiteta Geologiya, 1982, 37, 50-56 |
| 9017836 | CIF | Al4.23 Ca0.01 Fe0.45 K0.72 Mg1.96 Mn0.04 Na0.03 O30 Si10.32 | P 6/m c c | 10.0959; 10.0959; 14.3282 90; 90; 120 | 1264.77 | Chukanov, N. V.; Pekov, I. V.; Rastsvetaeva, R. K.; Aksenov, S. M.; Belakovskiy, D. I.; Van, K. V.; Schuller, V.; Ternes, B. Osumilite-(Mg): Validation as a mineral species and new data Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2012, 141, 27-36 |
| 9017837 | CIF | C Fe Na3 O7 P | P 1 21/m 1 | 5.137; 6.644; 8.908 90; 90.554; 90 | 304.018 | Krivovichev, S. V.; Chernyatieva, A. Y.; Britvin, S. N.; Yakovenchuk, V. N.; Krivovichev, V. G. Refinement of the crystal structure of bonshtedtite Na3Fe(PO4)(CO3) Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2013, 142, 46-54 |
| 9017838 | CIF | Ba0.04 Ca0.12 Fe0.36 H1.6 K0.16 Mg0.14 Mn0.44 Na0.46 Nb0.82 O41.42 Si8 Ti5.32 Zn2.62 Zr0.24 | P -1 | 8.743; 8.698; 11.581 91.54; 98.29; 105.65 | 837.184 | Pekov, I. V.; Britvin, S. N.; Zubkova, N. V.; Chukanov, N. V.; Bryzfalov, I. A.; Lykova, I. S.; Belakovskiy, D. I.; Pushcharovsky, D. Y. Vigrishinite, Zn2Ti4-xSi4O14(OH,H2O,[_])8, a new mineral from Lovozero alkaline massif (Kola Peninsula, Russia) Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2012, 141, 12-27 |
| 9017839 | CIF | Al0.89 Fe0.11 K O8 S2 | P 3 1 2 | 4.7281; 4.7281; 7.9936 90; 90; 120 | 154.756 | Murashko, M. N.; Pekov, I. V.; Krivovichev, S. V.; Chernyatyeava, A. P.; Yapaskurt, V. O.; Zadov, A. E.; Zelensky, M. E. Steklite, KAl(SO4)2: the find at Tolbachik volcano (Kamchatka, Russia). Validation as a mineral species and crystal structure Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2012, 141, 36-44 |
| 9017840 | CIF | Fe0.49 Ir0.05 Os0.1 Ru0.34 | P 63/m m c | 2.64; 2.64; 4.2 90; 90; 120 | 25.351 | Mochalov, A. G.; Dmitrenko, G. G.; Rudashevsky, N. S.; Zhernovsky, I. V.; Boldyreva, M. M. Hexaferrum (Fe,Ru),(Fe,Os),(Fe,Ir) - a new mineral Note: sample 48-126 Zapiski Vserossijskogo Mineralogicheskogo Obshchestva, 1998, 127, 41-51 |
| 9017841 | CIF | Fe0.69 Ir0.05 Ni0.02 Os0.18 Ru0.06 | P 63/m m c | 2.591; 2.591; 4.168 90; 90; 120 | 24.232 | Mochalov, A. G.; Dmitrenko, G. G.; Rudashevsky, N. S.; Zhernovsky, I. V.; Boldyreva, M. M. Hexaferrum (Fe,Ru),(Fe,Os),(Fe,Ir) - a new mineral Note: sample 117-8 Zapiski Vserossijskogo Mineralogicheskogo Obshchestva, 1998, 127, 41-51 |
| 9017842 | CIF | Ru | P 63/m m c | 2.7058; 2.7058; 4.2819 90; 90; 120 | 27.149 | Mochalov, A. G.; Dmitrenko, G. G.; Rudashevsky, N. S.; Zhernovsky, I. V.; Boldyreva, M. M. Hexaferrum (Fe,Ru),(Fe,Os),(Fe,Ir) - a new mineral Note: sample 6-0663 Zapiski Vserossijskogo Mineralogicheskogo Obshchestva, 1998, 127, 41-51 |
| 9017843 | CIF | Os | P 63/m m c | 2.7341; 2.7341; 4.3197 90; 90; 120 | 27.965 | Mochalov, A. G.; Dmitrenko, G. G.; Rudashevsky, N. S.; Zhernovsky, I. V.; Boldyreva, M. M. Hexaferrum (Fe,Ru),(Fe,Os),(Fe,Ir) - a new mineral Note: sample 6-0662 Zapiski Vserossijskogo Mineralogicheskogo Obshchestva, 1998, 127, 41-51 |
| 9017845 | CIF | Fe21 H O33 | P -4 3 m | 8.35; 8.35; 8.35 90; 90; 90 | 582.183 | Sinha, K. P.; Sinha, A. P. B. Ein Fehlstellenuberstruktur - Modell fur gamma-Fe2O3 Zeitschrift fur Anorganische und Allgemeine Chemie, 1957, 293, 228-232 |
| 9017847 | CIF | B | R -3 m :H | 4.9179; 4.9179; 12.5805 90; 90; 120 | 263.504 | Will, G.; Kiefer, B. Electron deformation density in alpha-boron Note: alpha-phase Zeitschrift fur Anorganische und Allgemeine Chemie, 2001, 627, 2100-2104 |
| 9017849 | CIF | Hg S8 Sb4 | A 1 2/a 1 | 30.1543; 3.9953; 21.4262 90; 104.265; 90 | 2501.74 | Borisov, S. V.; Perukhina, N. V.; Magarill, S. A.; Kuratieva, N. V.; Vasil'ev, V. I. Crystallographic analysis of the structure of livingstonite HgSb4S8 from refined data Crystallography Reports, 2010, 55, 224-228 |
| 9017850 | CIF | Fe1.21 Mg0.19 O5 Ti1.6 | C m c m | 3.7325; 9.7649; 9.9902 90; 90; 90 | 364.118 | Kazheva, O. N.; Zubkova, N. V.; Schafer, C.; Chukanov, N. V.; Pekov, I. V.; Britvin, S. N.; Pushcharovsky, D. Y. The pseudobrookite group: crystal chemical features of the armalcolite Fe2+ analogue Doklady Earth Sciences, 2021, 497, 305-309 |
| 9017851 | CIF | Fe2 H12 O19.76 S3 | P 1 21/n 1 | 14.3125; 20.1235; 5.431 90; 96.8133; 90 | 1553.18 | Ackermann, S.; Lazic, B.; Armbruster, T.; Doyle, S.; Grevel, K. D.; Majzlan, J. Thermodynamic and crystallographic properties of kornelite [Fe2(SO4)3*~7.75H2O] and paracoquimbite [Fe2(SO4)3*9H2O] American Mineralogist, 2009, 94, 1620-1628 |
| 9017852 | CIF | C2 H12 Al2 Ca O14 | P -1 | 5.71; 6.54; 14.64 81.8; 83.9; 86.5 | 537.469 | Stachowicz, M.; Parafiniuk, J.; Wilson, C.; Coles, S.; Wozniak, K. Applications of Hirshfeld surfaces to mineralogy: An example of alumohydrocalcite, and the classification of the dundasite group minerals American Mineralogist, 2015, 100, 110-119 |
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