Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9017400 | CIF | Ca2 O9 S2 | P 31 | 6.93145; 6.93145; 12.73617 90; 90; 120 | 529.929 | Christensen, A.; Olesen, M.; Cerenius, Y.; Jensen, T. Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4 Chemistry of Materials, 2008, 20, 2124-2132 |
| 9017401 | CIF | Ca O4 S | P 62 2 2 | 6.96895; 6.96865; 6.30044 90; 90; 120 | 264.983 | Christensen, A.; Olesen, M.; Cerenius, Y.; Jensen, T. Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4 Chemistry of Materials, 2008, 20, 2124-2132 |
| 9017402 | CIF | C H4 Ca7 O23 Si6 | C 1 m 1 | 10.0394; 15.1935; 6.6344 90; 115.645; 90 | 912.283 | Zhang, L.; Fu, P.; Yang, H.; Yu, K.; Zhou, Z. Crystal structure of Scawtite Chinese Science Bulletin, 1992, 37, 930-934 |
| 9017403 | CIF | H2 Mg3 O12 Si4 | C -1 | 5.1848; 8.923; 9.19 90.69; 90.9; 90 | 425.083 | Drits, V. A.; Guggenheim, S.; Zviagina, B. B.; Kogure, T. Structures of the 2:1 layers of pyrophyllite and talc Note: structure is averaged to remove stacking disorder effects Clays and Clay Minerals, 2012, 60, 574-587 |
| 9017404 | CIF | Ca O4 S | B b m m | 6.24; 6.98; 6.97 90; 90; 90 | 303.58 | Wasastjerna, J. The crystal structure of anhydrite, CaSO4 Commentationes Physico-Mathematicae, 1927, 2, 1-46 |
| 9017405 | CIF | O9 Sn Ta | P m -3 m | 3.88; 3.88; 3.88 90; 90; 90 | 58.411 | Gasperin, M. Synthese et identification de deux oxydes doubles de tantale et d'etain Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1955, 240, 2340-2342 |
| 9017406 | CIF | Ca2 H2 O9 S2 | I 1 2 1 | 12.01917; 6.93028; 12.66972 90; 90.2348; 90 | 1055.33 | Bezou, C.; Christensen, A. N.; Cox, D.; Lehmann, M.; Nonat, A. Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O Note: CaSO4*0.5H2O Comptes Rendus de l'Academie des Sciences Paris, 1991, 312, 43-48 |
| 9017407 | CIF | Ca3 H3.6 O13.8 S3 | C 1 2 1 | 11.9991; 6.9254; 6.3766 90; 90; 90 | 529.886 | Bezou, C.; Christensen, A. N.; Cox, D.; Lehmann, M.; Nonat, A. Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O Note: CaSO4*0.6H2O Comptes Rendus de l'Academie des Sciences Paris, 1991, 312, 43-48 |
| 9017408 | CIF | C Ca O3 | P 65 | 7.112; 7.112; 25.4089 90; 90; 120 | 1113.01 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017409 | CIF | C Ca O3 | P 32 2 1 | 7.1239; 7.1239; 25.3203 90; 90; 120 | 1112.85 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017410 | CIF | C Ca O3 | A m a 2 | 8.4905; 6.3905; 4.5026 90; 90; 90 | 244.305 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017411 | CIF | C Ca O3 | P 21 21 21 | 4.3668; 6.5831; 8.4282 90; 90; 90 | 242.286 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017412 | CIF | C Ca O3 | C 1 | 12.353; 7.102; 25.733 90.46; 99.78; 90.24 | 2224.67 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. The multiple structures of vaterite Crystal Growth & Design, 2013, 13, 2247-2251 |
| 9017413 | CIF | C Ca O3 | C 1 | 12.358; 7.106; 25.741 90.43; 99.88; 90.29 | 2226.84 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. The multiple structures of vaterite Crystal Growth & Design, 2013, 13, 2247-2251 |
| 9017414 | CIF | C Ca O3 | C 1 2 1 | 12.245; 7.197; 9.305 90; 115.16; 90 | 742.224 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. The multiple structures of vaterite Crystal Growth & Design, 2013, 13, 2247-2251 |
| 9017415 | CIF | C Ca O3 | C 1 c 1 | 12.281; 7.142; 9.371 90; 115.48; 90 | 741.993 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. The multiple structures of vaterite Crystal Growth & Design, 2013, 13, 2247-2251 |
| 9017416 | CIF | Ba0.1 Ca0.6 H9.8 K1.55 Mn0.89 Nb0.1 O32.9 Si8 Ti3.9 | C 1 m 1 | 14.365; 13.887; 7.814 90; 117.36; 90 | 1384.42 | Rastsvetaeva, R. K.; Pekov, I. V.; Nekrasov, Y. V. Crystal structure and microtwinning of a calcium-rich analogue of labuntsovite Crystallography Reports, 2001, 46, 365-367 |
| 9017417 | CIF | Fe H O2 | C m c m | 3.072; 12.516; 3.873 90; 90; 90 | 148.914 | Zhukhlistov, A. P. Crystal structure of lepidocrocite FeO(OH) from the electron-diffractometry data Crystallography Reports, 2001, 46, 730-733 |
| 9017418 | CIF | C2 H Na O7 Pb2 | P 3 1 c | 5.268; 5.268; 13.48 90; 90; 120 | 323.975 | Belokoneva, E. L.; Al'-Ama A G; Dimitrova, O. V.; Kurazhkovskaya, V. S.; Stefanovich, S. Y. Synthesis and crystal structure of new carbonate NaPb2(CO3)2(OH) Crystallography Reports, 2002, 47, 217-222 |
| 9017419 | CIF | Al0.49 Fe0.5 K0.99 O8 Si3.01 | C 1 2/m 1 | 8.655; 13.101; 7.25 90; 116.02; 90 | 738.747 | Lebedeva, Y. S.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S.; Kashaev, A. A.; Taroev, V. K.; Goettlicher, J.; Kroll, H.; Pentinghaus, H.; Suvorova, L. F.; Wulf-Bernodat H; Lashkevich, V. V. Synthesis and crystal structure of low ferrialuminosilicate sanidine Crystallography Reports, 2003, 48, 919-924 |
| 9017420 | CIF | Al0.14 Be2 Ca Fe1.176 H8 Mg0.096 Mn0.57 O17 P3 Zn0.36 | C 1 2/c 1 | 15.941; 11.877; 6.625 90; 95.09; 90 | 1249.37 | Barinova, A. V.; Rastsvetaeva, R. K.; Chukanov, N. V.; Pietraszko, A. Refinement of the crystal structure of Zn-containing greifensteinite Crystallography Reports, 2004, 49, 942-945 |
| 9017421 | CIF | H4 K2 O12 S2 U | P n a 21 | 13.773; 7.288; 11.556 90; 90; 90 | 1159.96 | Alekseev, E. V.; Suleimanov, E. V.; Chuprunov, E. V.; Marychev, M. O.; Ivanov, V. A.; Fukin, G. K. Crystal structure and nonlinear optical properties of the K2UO2(SO4)2*2H2O compound at 293 K Crystallography Reports, 2006, 51, 29-33 |
| 9017424 | CIF | Ca2 O4 Si | P 1 21/n 1 | 5.5051; 6.7551; 9.3108 90; 94.513; 90 | 345.172 | Yamnova, N. A.; Zubkova, N. V.; Eremin, N. N.; Zadov, A. E.; Gazeev, V. M. Crystal structure of larnite beta-Ca2SiO4 and specific features of polymorphic transitions in dicalcium orthosilicate Crystallography Reports, 2011, 56, 210-220 |
| 9017425 | CIF | H12 O13 S Zn4 | P 1 | 8.312; 14.545; 18.504 89.71; 90.05; 90.13 | 2237.06 | Rastsvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V.; Verin, I. A. Crystal structure of a new mineral lahnsteinite Zn4(SO4)(OH)6*3H2O Crystallography Reports, 2012, 57, 737-741 |
| 9017426 | CIF | Al0.32 Be0.45 Cr0.71 O2 | P 21 21 21 (a+1/4,b-1/4,c) | 4.487; 5.629; 9.732 90; 90; 90 | 245.804 | Yamnova, N. A.; Aksenov, S. M.; Pautov, L. A.; Popov, M. P.; Erokhin, Y. V. Specific features of cation distribution in the crystal structure of mariinskite BeCr2O4 (derivative of olivine-type structure) Note: Sample 1 Crystallography Reports, 2014, 59, 30-35 |
| 9017427 | CIF | Al0.37 Be0.45 Cr0.66 O2 | P 21 21 21 (a+1/4,b-1/4,c) | 4.478; 5.62; 9.746 90; 90; 90 | 245.271 | Yamnova, N. A.; Aksenov, S. M.; Pautov, L. A.; Popov, M. P.; Erokhin, Y. V. Specific features of cation distribution in the crystal structure of mariinskite BeCr2O4 (derivative of olivine-type structure) Note: Sample 2 Crystallography Reports, 2014, 59, 30-35 |
| 9017428 | CIF | Fe Se2 | P n n m | 4.804; 5.781; 3.5817 90; 90; 90 | 99.471 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 0.0 GPa Crystals, 2018, 8 |
| 9017429 | CIF | Fe Se2 | P n n m | 4.771; 5.756; 3.5663 90; 90; 90 | 97.937 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 1.7 GPa Crystals, 2018, 8 |
| 9017430 | CIF | Fe Se2 | P n n m | 4.751; 5.729; 3.5467 90; 90; 90 | 96.536 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 3.83 GPa Crystals, 2018, 8 |
| 9017431 | CIF | Fe Se2 | P n n m | 4.698; 5.667; 3.5088 90; 90; 90 | 93.417 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 8.1 GPa Crystals, 2018, 8 |
| 9017432 | CIF | Fe Se2 | P n n m | 4.603; 5.581; 3.4492 90; 90; 90 | 88.608 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 17.3 GPa Crystals, 2018, 8 |
| 9017433 | CIF | Fe Se2 | P n n m | 4.555; 5.524; 3.409 90; 90; 90 | 85.777 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 24.4 GPa Crystals, 2018, 8 |
| 9017434 | CIF | Fe Se2 | P n n m | 4.488; 5.471; 3.3734 90; 90; 90 | 82.83 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 32 GPa Crystals, 2018, 8 |
| 9017435 | CIF | Fe Se2 | P n n m | 4.404; 5.391; 3.3185 90; 90; 90 | 78.788 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 46 GPa Crystals, 2018, 8 |
| 9017436 | CIF | Fe Se2 | P n n m | 4.7885; 5.7782; 3.5821 90; 90; 90 | 99.113 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 198.2 K, P = 0.0001 GPa Crystals, 2018, 8 |
| 9017437 | CIF | Fe Se2 | P n n m | 4.7893; 5.7775; 3.5795 90; 90; 90 | 99.045 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 148.4 K, P = 0.0001 GPa Crystals, 2018, 8 |
| 9017438 | CIF | Fe Se2 | P n n m | 4.7834; 5.7767; 3.5789 90; 90; 90 | 98.893 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 50.4 K, P = 0.0001 GPa Crystals, 2018, 8 |
| 9017439 | CIF | Fe Se2 | P n n m | 4.751; 5.723; 3.5501 90; 90; 90 | 96.527 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 197 K, P = 3.68 GPa Crystals, 2018, 8 |
| 9017440 | CIF | Fe Se2 | P n n m | 4.7446; 5.772; 3.5512 90; 90; 90 | 97.253 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 116 K, P = 3.64 GPa Crystals, 2018, 8 |
| 9017441 | CIF | Fe H Li O5 P | P -1 | 5.3528; 7.2896; 5.1187 109.359; 97.733; 106.359 | 174.984 | Marx, N.; Croguennec, L.; Carlier, D.; Wattiaux, A.; Le Cras, F.; Suard, E.; Delmas, C. The structure of tavorite LiFePO4(OH) from diffraction and GGA + U studies and its preliminary electrochemical characterization Dalton Transactions, 2010, 39, 5108-5116 |
| 9017442 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.578; 12.978; 7.204 90; 116.02; 90 | 720.699 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample ORMA, X-Ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017443 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.543; 13.019; 7.183 90; 115.99; 90 | 718.11 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SVG1, neutron diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017444 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.543; 13.019; 7.183 90; 115.99; 90 | 718.11 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAGA, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017445 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.543; 13.019; 7.183 90; 115.99; 90 | 718.11 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SANU, neutron diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017446 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.543; 13.019; 7.183 90; 115.99; 90 | 718.11 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample STOT, T = 650 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017447 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.544; 13.026; 7.18 90; 115.97; 90 | 718.402 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SATO, T = 750 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017448 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.545; 13.026; 7.179 90; 115.97; 90 | 718.386 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SANG, T = 850 C, nuetron diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017449 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.545; 13.026; 7.179 90; 115.97; 90 | 718.386 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAND, T = 850 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017450 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.545; 13.026; 7.179 90; 115.97; 90 | 718.386 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAAT, T = 1050 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017451 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.546; 13.033; 7.176 90; 115.97; 90 | 718.556 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SVG3, T = 950 C, neutron diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017452 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.546; 13.033; 7.176 90; 115.97; 90 | 718.556 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SANI, T = 950 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017453 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.546; 13.033; 7.176 90; 115.97; 90 | 718.556 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAGT, T = 1050 C, neutron diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017454 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.546; 13.033; 7.176 90; 115.97; 90 | 718.556 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SANN, T = 1050 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017455 | CIF | B2 Ca H8 O8 | P -1 | 7.774; 5.68; 8.136 113.15; 101.67; 107.87 | 292.206 | Simonov, M. A.; Kazanskaya, E. V.; Egorov-Tismenko Y K; Zhelezi, E. P.; Belov, N. V. Refinement of the crystal-structure of frolovite, Ca[B(OH)4]2 Note: T = 18 C Doklady Akademii Nauk SSSR, 1976, 230, 91-94 |
| 9017456 | CIF | B2 Ca H8 O8 | P -1 | 7.745; 5.667; 8.102 113.24; 101.54; 107.92 | 289.121 | Simonov, M. A.; Kazanskaya, E. V.; Egorov-Tismenko Y K; Zhelezi, E. P.; Belov, N. V. Refinement of the crystal-structure of frolovite, Ca[B(OH)4]2 Note: T = -140 C Doklady Akademii Nauk SSSR, 1976, 230, 91-94 |
| 9017457 | CIF | Ca H1.323 O4.662 S | B 1 1 2 | 12.028; 12.674; 6.927 90; 90; 90.21 | 1055.96 | Bushuev, N. N. On the structural features of CaSO4*0,5H2O and CaSO4*0,67H2O Doklady Akademii Nauk SSSR, 1980, 255, 1104-1109 |
| 9017458 | CIF | As2 Se3 | C 1 2/m 1 | 13.37; 3.73; 9.31 90; 95; 90 | 462.524 | Kirkinskii, V. A.; Yakushev, V. G. A new polymorphic modification of arsenic selenide obtained at high presssures Doklady Chemistry, 1968, 182, 896-898 |
| 9017459 | CIF | Al0.1 Be4 Ca2 Fe2.5 H16 Mg2.2 Mn0.2 O34 P6 | P -1 | 6.668; 9.879; 9.883 73.53; 85.6; 86.93 | 622.127 | Rastsvetaeva, R. K.; Barinova, A. V.; Chukanov, N. V.; Pietraszko, A. Crystal structure of a magnesium-rich triclinic analogue of greifensteinite Doklady Chemistry, 2004, 398, 191-195 |
| 9017460 | CIF | Ba0.03 Ca6 Cl1.62 Fe2.25 H1.662 Hf0.03 K2.295 Mn0.15 Na12.945 Nb0.03 O74.389 Si26 Sr0.3 Ti0.15 Zr2.79 | R 3 m :H | 14.2956; 14.2956; 30.0228 90; 90; 120 | 5313.57 | Rastsvetaeva, R. K.; Rozenberg, K. A.; Khomyakov, A. P. Crystal structure of high-silica K,Na-ordered acentric eudialyte analogue Doklady Chemistry, 2009, 424, 11-14 |
| 9017461 | CIF | Fe4.9 H0.82 Mn0.8 O38 Pb0.6 Sr0.1 Ti13.4 Y0.4 Zn1.5 | R -3 :H | 10.4359; 10.4359; 21.0471 90; 90; 120 | 1985.1 | Kastsvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V.; Menezes, L. A. D. Crystal structure of almeidaite, a new mineral of the crichtonite group Doklady Chemistry, 2014, 455, 53-57 |
| 9017462 | CIF | Ca0.29 Ce0.18 F0.11 Fe0.19 H0.65 La0.09 Mn0.51 Na0.35 Nb0.97 Nd0.02 O6.89 Th0.37 Ti0.85 U0.04 | F d -3 m :2 | 10.2523; 10.2523; 10.2523 90; 90; 90 | 1077.62 | Chukanov, N. V.; Blass, G.; Zubkova, N. V.; Pekov, I. V.; Pushcharovskii, D. Y.; Prinz, H. Hydroxymanganopyrochlore: A new mineral from the Eifel volcanic region, Germany Doklady Earth Sciences, 2013, 449, 342-345 |
| 9017463 | CIF | As0.79 Cr Cu H O9 P0.21 Pb2 | P 1 21/c 1 | 8.09015; 5.90913; 17.4839 90; 109.99; 90 | 785.474 | Ksenofontov, D. A.; Kabalov, Y. K.; Pekov, I. V.; Zubkova, N. V.; Ekimenkova, I. A.; Pushcharovskii, D. Y. Refinement of the crystal structure of fornacite using the Rietveld method Doklady Earth Sciences, 2014, 456, 520-523 |
| 9017464 | CIF | Ba Cu O6 Si2 | I 41/a c d :2 | 9.97511; 9.97511; 22.2887 90; 90; 90 | 2217.79 | Chen, Y.; Zhang, Y.; Feng, S. Hydrothermal synthesis and properties of pigments Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7 Dyes and Pigments, 2014, 105, 167-173 |
| 9017465 | CIF | Ba Cu2 O7 Si2 | P n m a | 6.86317; 13.1773; 6.86317 90; 90; 90 | 620.692 | Chen, Y.; Zhang, Y.; Feng, S. Hydrothermal synthesis and properties of pigments Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7 Dyes and Pigments, 2014, 105, 167-173 |
| 9017466 | CIF | Be2 O4 Si | R -3 :H | 12.485; 12.485; 8.264 90; 90; 120 | 1115.57 | Tsirelson, V. G.; Sokolova, Y. V.; Urusov, V. S. An X-ray diffraction study of the electron-density distribution and electrostatic potential in phenakite Be2SiO4 Geochemistry International, 1987, 24, 101-110 |
| 9017467 | CIF | Al3.82 Fe1.39 K0.06 Mg0.85 Na0.03 O18 Si4.94 | P 6/m c c | 9.8759; 9.8759; 9.3102 90; 90; 120 | 786.399 | Chukanov, N. V.; Aksenov, S. M.; Pekov, I. V.; Ternes, B.; Schuller, W.; Belakovskiy, D. I.; Van, K. V.; Blass, G. Ferroindialite (Fe2+,Mg)2Al4Si5O18, a new beryl-group mineral from the Eifel volcanic region, Germany Geology of Ore Deposits, 2014, 56, 637-643 |
| 9017468 | CIF | H11 Na1.43 Nb1.56 O22 Si4 Ti1.395 Zn1.2 | P -1 | 8.975; 8.979; 12.135 74.328; 80.651; 73.959 | 900.819 | Pekov, I. V.; Lykova, I. S.; Chukanov, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Zolotarev, A. A.; Zubkova, N. V. Zvyaginite, NaZnNb2Ti[Si2O7]2O(OH,F)3(H2O)4+x(x<1), a new mineral of the epistolite group from the Lovozero alkaline pluton, Kola Peninsula, Russia Geology of Ore Deposits, 2014, 56, 644-656 |
| 9017469 | CIF | Ca Mg O6 Si2 | C 1 2/c 1 | 9.234; 8.255; 4.959 90; 104.592; 90 | 365.815 | Plonka, A. M.; Dera, P.; Irmen, P.; Rivers, M. L.; Ehm, L.; Parise, J. B. Beta-diopside, a new ultrahigh-pressure polymorph of CaMgSi2O6 with six-coordinated silicon Note: P = 38.6 GPa Geophysical Research Letters, 2012, 39, L24307-4 |
| 9017470 | CIF | Ca Mg O6 Si2 | P 1 21/c 1 | 9.053; 7.677; 4.751 90; 96.34; 90 | 328.175 | Plonka, A. M.; Dera, P.; Irmen, P.; Rivers, M. L.; Ehm, L.; Parise, J. B. Beta-diopside, a new ultrahigh-pressure polymorph of CaMgSi2O6 with six-coordinated silicon Note: P = 56.1 GPa Geophysical Research Letters, 2012, 39, L24307-4 |
| 9017471 | CIF | B | P 42/n n m :1 | 8.708; 8.708; 5.075 90; 90; 90 | 384.834 | Parakhonskiy, G.; Dubrovinskaia, N.; Bykova, E.; Wirth, R.; Dubrovinsky, L. High pressure synthesis and investigation of single crystals of metastable boron phases Note: alpha-tetragonal phase High Pressure Research, 2013, 33, 673-683 |
| 9017472 | CIF | B | R -3 m :H | 5.594; 5.594; 12.0756 90; 90; 120 | 327.253 | Parakhonskiy, G.; Dubrovinskaia, N.; Bykova, E.; Wirth, R.; Dubrovinsky, L. High pressure synthesis and investigation of single crystals of metastable boron phases Note: epsilon-trigonal phase High Pressure Research, 2013, 33, 673-683 |
| 9017473 | CIF | Fe3 H28 O30 S4 | P -1 | 6.319; 6.4521; 15.3158 85.855; 89.828; 79.065 | 611.46 | Mereiter, K. Experimental crystal structure determination ICSD Communications, 2018, 2018 |
| 9017474 | CIF | Fe H7 O8 S | P -1 | 6.6548; 8.9204; 11.6053 97.26; 95.634; 90.383 | 679.979 | Mereiter, K. Experimental crystal structure determination Note: T = 296 K ICSD Communications, 2018, 2018 |
| 9017475 | CIF | Fe H7 O8 S | P -1 | 6.6278; 8.8605; 11.579 97.564; 95.709; 90.355 | 670.595 | Mereiter, K. Experimental crystal structure determination Note: T = 100 K ICSD Communications, 2018, 2018 |
| 9017476 | CIF | Fe2 H22 O23 S3 | P -1 | 6.18; 23.583; 6.54 94.14; 101.68; 96.35 | 923.305 | Mereiter, K. Experimental crystal structure determination ICSD Communications, 2020, 2020 |
| 9017477 | CIF | As2 Cu4 O9 | P n m a | 8.253; 6.4122; 13.789 90; 90; 90 | 729.712 | Adams, R. D.; Layland, R.; Payen, C. Cu4(AsO4)2(O): A new copper arsenate with unusual low temperature magnetic properties Inorganic Chemistry, 1995, 34, 5397-5398 |
| 9017478 | CIF | As2 Te3 | C 1 2/m 1 | 14.337; 4.015; 9.887 90; 95.06; 90 | 566.908 | Morin, C.; Corallini, S.; Carreaud, J.; Vaney, J. B.; Delaizir, G.; Crivello, J. C.; Lopes, E. B.; Piarristeguy, A.; Monnier, J.; Candolfi, C.; Nassif, V.; Cuello, G. J.; Pradel, A.; Goncalves, A. P.; Lenoir, B.; Alleno, E. Polymorphism in thermoelectric As2Te3 Note: T = 300 K Inorganic Chemistry, 2015, 54, 9936-9947 |
| 9017479 | CIF | C3 H9.3 Ce O10.65 | P 1 21/c 1 | 11.347; 9.63; 10.392 90; 114.52; 90 | 1033.14 | Ollendorff, W.; Weigel, F. The crystal structure of some lanthanide oxalate decahydrates, Ln2(C2O4)3*10H2O, with Ln = La, Ce, Pr, and Nd Inorganic and Nuclear Chemistry Letters, 1969, 5, 263-269 |
| 9017480 | CIF | Br3 Fe K | P n m a | 8.712; 3.845; 14.15 90; 90; 90 | 473.992 | Amit, A.; Horowitz, A.; Makovsky, J. Preparation and crystal structure of KFeCl3 and KFeBr3 Israel Journal of Chemistry, 1974, 12, 827-830 |
| 9017481 | CIF | As2 Te3 | C 1 2/m 1 | 14.364; 4.025; 9.889 90; 95.14; 90 | 569.434 | Kanischeva, A. S.; Mikhailov, Y. N.; Chernov, A. P. Crystal structure of arsenic telluride As2Te3 Izvestiya Akademii Nauk SSSR Neorganicheskie Materialy, 1982, 18, 949-952 |
| 9017482 | CIF | Ba3 O8 V2 | R -3 m :H | 5.7811; 5.7811; 21.2886 90; 90; 120 | 616.167 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 0 Journal of Alloys and Compounds, 2010, 498, 42-51 |
| 9017483 | CIF | Ba2.5 O8 Sr0.5 V2 | R -3 m :H | 5.7617; 5.7617; 21.1048 90; 90; 120 | 606.755 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 0.5 Journal of Alloys and Compounds, 2010, 498, 42-51 |
| 9017484 | CIF | Ba2 O8 Sr V2 | R -3 m :H | 5.7362; 5.7362; 20.9041 90; 90; 120 | 595.677 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 1 Journal of Alloys and Compounds, 2010, 498, 42-51 |
| 9017485 | CIF | Ba1.5 O8 Sr1.5 V2 | R -3 m :H | 5.7084; 5.7084; 20.6912 90; 90; 120 | 583.909 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 1.5 Journal of Alloys and Compounds, 2010, 498, 42-51 |
| 9017486 | CIF | Ba O8 Sr2 V2 | R -3 m :H | 5.6792; 5.6792; 20.4821 90; 90; 120 | 572.11 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 2 Journal of Alloys and Compounds, 2010, 498, 42-51 |
| 9017487 | CIF | Ba0.5 O8 Sr2.5 V2 | R -3 m :H | 5.6498; 5.6498; 20.2789 90; 90; 120 | 560.585 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 2.5 Journal of Alloys and Compounds, 2010, 498, 42-51 |
| 9017488 | CIF | O8 Sr3 V2 | R -3 m :H | 5.6214; 5.6214; 20.0997 90; 90; 120 | 550.059 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 3 Journal of Alloys and Compounds, 2010, 498, 42-51 |
| 9017489 | CIF | Fe2.668 O4 | P 43 3 2 | 8.3474; 8.3474; 8.3474 90; 90; 90 | 581.639 | Shmakov, A. N.; Kryukova, G. N.; Tsybulya, S. V.; Chuvilin, A. L.; Solovyeva, L. P. Vacancy ordering in gamma-Fe2O3: synchrotron x-ray powder diffraction and high- resolution electron microscopy studies Journal of Applied Crystallography, 1995, 28, 141-145 |
| 9017490 | CIF | Fe0.23 Mg1.77 O4 Si | P b n m | 4.764; 10.229; 5.996 90; 90; 90 | 292.191 | Heuer, M. The determination of site occupancies using a new strategy in Rietveld refinements Note: for calculation of powder patterns Journal of Applied Crystallography, 2001, 34, 271-279 |
| 9017491 | CIF | Fe0.23 Mg1.77 O4 Si | P b n m | 4.7645; 10.23467; 5.99727 90; 90; 90 | 292.445 | Heuer, M. The determination of site occupancies using a new strategy in Rietveld refinements Note: results of the conventional Rietveld refinement on the whole data set Journal of Applied Crystallography, 2001, 34, 271-279 |
| 9017492 | CIF | Fe0.23 Mg1.77 O4 Si | P b n m | 4.762; 10.235; 5.998 90; 90; 90 | 292.337 | Heuer, M. The determination of site occupancies using a new strategy in Rietveld refinements Note: results of the conventional refinement on single-crystal data Journal of Applied Crystallography, 2001, 34, 271-279 |
| 9017493 | CIF | Fe2.645 O3.99 | P 43 3 2 | 8.3364; 8.3364; 8.3364 90; 90; 90 | 579.343 | Solano, E.; Frontera, C.; Puig, T.; Obradors, X.; Ricart, S.; Ros, J. Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route Journal of Applied Crystallography, 2014, 47, 414-420 |
| 9017494 | CIF | Sn | F m -3 m | 5.8197; 5.8197; 5.8197 90; 90; 90 | 197.107 | Straumanis, M. E. The precision determination of lattice constants by the powder and rotation crystal methods and applications Sample: at T = 25 C Journal of Applied Physics, 1949, 20, 726-734 |
| 9017495 | CIF | Bi | P 63/m m c | 4.53674; 4.53674; 5.19983 90; 90; 120 | 92.685 | Straumanis, M. E. The precision determination of lattice constants by the powder and rotation crystal methods and applications Sample: at T = 25 C Journal of Applied Physics, 1949, 20, 726-734 |
| 9017496 | CIF | F | P m -3 n | 6.67; 6.67; 6.67 90; 90; 90 | 296.741 | Jordan, T. H.; Streib, W. E.; Lipscomb, W. N. Single-crystal X-ray diffraction study of beta-fluorine Note: T = 50 K Note: beta phase, stable between T = 45.55 K & 53.54 K Journal of Chemical Physics, 1964, 41, 760-764 |
| 9017497 | CIF | C2 Cl3 Cu N | I 1 2/a 1 | 12.09; 8.63; 14.49 90; 97.5; 90 | 1498.91 | Willett, R. D. Crystal structure and optical properties of (CH3)2NH2CuCl3 Journal of Chemical Physics, 1966, 44, 39-42 |
| 9017498 | CIF | O2 | P 63/m m c | 2.561; 2.561; 6.575 90; 90; 120 | 37.346 | Lundegaard, L. F.; Guillaume, C.; McMahon, M. I.; Gregoryanz, E.; Merlini, M. On the structure of high-pressure high-temperature eta-O2 Journal of Chemical Physics, 2009, 130 |
| 9017499 | CIF | C0.34 H2 Al0.377 Ni0.623 O3.02 | R -3 m :H | 3.029; 3.029; 22.5995 90; 90; 120 | 179.568 | Mills, S. J.; Whitfield, P. S.; Kampf, A. R.; Wilson, S. A.; Dipple, G. M.; Raudsepp, M.; Favreau, G. Contribution to the crystallography of hydrotalcites: the crystal structures of woodallite and takovite Note: polytype 3R Note: calculated chemical formula differs from expected Journal of Geosciences, 2012, 58, 273-279 |
| 9017500 | CIF | C0.07 H2 Al0.039 Cl0.11 Cr0.124 Fe0.087 Mg0.75 O2.851 | R -3 m :H | 3.10124; 3.10124; 23.6817 90; 90; 120 | 197.249 | Mills, S. J.; Whitfield, P. S.; Kampf, A. R.; Wilson, S. A.; Dipple, G. M.; Raudsepp, M.; Favreau, G. Contribution to the crystallography of hydrotalcites: the crystal structures of woodallite and takovite Note: polytype 3R Note: calculated chemical formula differs from expected Journal of Geosciences, 2012, 58, 273-279 |
| 9017501 | CIF | Cl0.94 H4 Na7 O20.06 S4 U | C 1 2/c 1 | 21.1507; 5.3469; 34.6711 90; 104.913; 90 | 3788.91 | Plasil, J.; Kampf, A. R.; Kasatkin, A. V.; Marty, J. Bluelizardite, Na7(UO2)(SO4)4Cl(H2O)2, a new uranyl sulfate mineral from the Blue Lizard mine, San Juan County, Utah, USA Journal of Geosciences, 2014, 59, 145-158 |
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