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