Crystallography Open Database
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Searching space group like 'P b c a'
COD ID  |
Links | Formula |
Space group |
Cell parameters | Cell volume  |
Bibliography |
|---|---|---|---|---|---|---|
| 1530153 | CIF | O2.2 Ta2 | P b c a | 5.1; 5.1; 5.1 90; 90; 90 | 132.651 | Khitrova, V.I.; Klechkovskaya, V.V.; Pinsker, Z.G. Structures with fcc cells in thin films of oxides of Ta and Nb Kristallografiya, 1979, 24, 1254-1258 |
| 1509320 | CIF | Ag F2 | P b c a | 5.073; 5.529; 5.813 90; 90; 90 | 163.047 | Fischer, P.; Schwarzenbach, D.; Rietveld, H.M. Crystal and magnetic structure of silver difluoride. I. Determination of the Ag F2 structure Journal of Physics and Chemistry of Solids, 1971, 32, 543-550 |
| 1509321 | CIF | Ag F2 | P b c a | 5.568; 5.831; 5.101 90; 90; 90 | 165.614 | Mueller, B.G.; Hoppe, R.; Zemva, B.; Jesih, A.; Lutar, K.; Becker, S.; Bachmann, B. Einkristalluntersuchungen an Ag F2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1990, 588, 77-83 |
| 1539442 | CIF | Hg O2 | P b c a | 6.08; 6.01; 4.8 90; 90; 90 | 175.396 | Vannerberg, N.G. Formation and structure of mercuric peroxides Arkiv foer Kemi, 1959, 13, 515-521 |
| 9014942 | CIF | Ni P | P b c a | 6.036; 4.8684; 6.8788 90; 90; 90 | 202.138 | Dera, P.; Lazarz, J. D.; Lavina, B. Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 1.29 GPa Journal of Solid State Chemistry, 2011, 184, 1997-2003 |
| 1537574 | CIF | Ni P | P b c a | 6.05; 4.881; 6.89 90; 90; 90 | 203.462 | Larsson, E. An X-ray investigation of the Ni-P system and the crystal structures of Ni P and Ni P2 Arkiv foer Kemi, 1965, 23, 335-365 |
| 2310589 | CIF | Pd S2 | P b c a | 5.46; 5.541; 7.531 90; 90; 90 | 227.842 | Gronvold, F.; Rost, E. The crystal structure of Pd Se2 and Pd S2 Acta Crystallographica (1,1948-23,1967), 1957, 10, 329-331 |
| 1539273 | CIF | Pd Se2 | P b c a | 5.72; 5.8; 7.67 90; 90; 90 | 254.46 | Schubert, K.; Vetter, H.; Breimer, H.; Gunzel, E.; Burkhardt, W.; Wilkens, M.; Haufler, R.; Lukas, H.L.; Wegst, J. Einige strukturelle Ergebnisse an metallischen Phasen. II Naturwissenschaften, 1957, 44, 229-230 |
| 3000232 | On hold until 2020-04-22 | O4 Si Zn2 | P b c a | 4.9236; 5.0143; 10.3174 90; 90; 90 | 254.72 | Kanzaki, M. High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 with Ca2RuO4 structure at 0 K) To be published |
| 9004137 | CIF | O2 Ti | P b c a | 9.174; 5.449; 5.138 90; 90; 90 | 256.844 | Meagher, E. P.; Lager, G. A. Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperature Sample at 25 degrees C The Canadian Mineralogist, 1979, 17, 77-85 |
| 9009087 | CIF | O2 Ti | P b c a | 9.184; 5.447; 5.145 90; 90; 90 | 257.38 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 239-444 |
| 8104269 | CIF | O2 Ti | P b c a | 9.185; 5.447; 5.145 90; 90; 90 | 257.408 | Pauling, L.; Sturdivant, J.H. The crystal structure of brookite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1928, 68, 239-256 |
| 9004138 | CIF | O2 Ti | P b c a | 9.175; 5.459; 5.149 90; 90; 90 | 257.894 | Meagher, E. P.; Lager, G. A. Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperature Sample at 280 degrees C The Canadian Mineralogist, 1979, 17, 77-85 |
| 9004139 | CIF | O2 Ti | P b c a | 9.191; 5.463; 5.157 90; 90; 90 | 258.935 | Meagher, E. P.; Lager, G. A. Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperature Sample at 425 degrees C The Canadian Mineralogist, 1979, 17, 77-85 |
| 4310736 | CIF HKL | Pd Se2 | P b c a | 5.7457; 5.8679; 7.6946 90; 90; 90 | 259.425 | C. Soulard; X. Rocquefelte; P.-E. Petit; M. Evain; S. Jobic; J.-P. Itié; P. Munsch; H.-J. Koo; M.-H. Whangbo Experimental and Theoretical Investigation on the Relative Stability of the PdS2- and Pyrite-Type Structures of PdSe2 Inorganic Chemistry, 2004, 43, 1943-1949 |
| 9004140 | CIF | O2 Ti | P b c a | 9.211; 5.472; 5.171 90; 90; 90 | 260.632 | Meagher, E. P.; Lager, G. A. Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperatures Sample at 625 degrees C The Canadian Mineralogist, 1979, 17, 77-85 |
| 1544410 | CIF | Hf O2 | P b c a | 10.0172; 5.2276; 5.0598 90; 90; 90 | 264.961 | Ohtaka, O.; Yamanaka, T.; Kume, S. Synthesis and X-ray structural analysis by the Rietveld method of orthorhombic hafnia Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi, 1991, 99, 826-827 |
| 7241393 | CIF | C2 H2 O4 | P b c a | 6.4914; 6.0556; 7.802 90; 90; 90 | 306.69 | Bhattacharya, Suman Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid CrystEngComm, 2020 |
| 4116139 | CIF | C2 H2 O4 | P b c a | 6.4928; 6.06; 7.803 90; 90; 90 | 307.02 | Venkat R. Thalladi; Markus Nüsse; Roland Boese The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids Journal of the American Chemical Society, 2000, 122, 9227-9236 |
| 7241394 | CIF | C2 H2 O4 | P b c a | 6.5045; 6.064; 7.8072 90; 90; 90 | 307.94 | Bhattacharya, Suman Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid CrystEngComm, 2020 |
| 7241392 | CIF | C2 H2 O4 | P b c a | 6.5224; 6.0741; 7.8268 90; 90; 90 | 310.08 | Bhattacharya, Suman Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid CrystEngComm, 2020 |
| 4340531 | CIF | As Zn | P b c a | 5.6607; 7.2774; 7.5599 90; 90; 90 | 311.43 | Fischer, Andreas; Eklöf, Daniel; Benson, Daryn E.; Wu, Yang; Scheidt, Ernst-Wilhelm; Scherer, Wolfgang; Häussermann, Ulrich Synthesis, Structure, and Properties of the Electron-Poor II-V Semiconductor ZnAs. Inorganic chemistry, 2014, 53, 8691-8699 |
| 7241395 | CIF | C2 H2 O4 | P b c a | 6.5399; 6.0841; 7.8385 90; 90; 90 | 311.89 | Bhattacharya, Suman Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid CrystEngComm, 2020 |
| 4340532 | CIF | As Zn | P b c a | 5.6731; 7.2754; 7.5572 90; 90; 90 | 311.916 | Fischer, Andreas; Eklöf, Daniel; Benson, Daryn E.; Wu, Yang; Scheidt, Ernst-Wilhelm; Scherer, Wolfgang; Häussermann, Ulrich Synthesis, Structure, and Properties of the Electron-Poor II-V Semiconductor ZnAs. Inorganic chemistry, 2014, 53, 8691-8699 |
| 4116148 | CIF | C2 H2 O4 | P b c a | 6.5594; 6.094; 7.8524 90; 90; 90 | 313.88 | Venkat R. Thalladi; Markus Nüsse; Roland Boese The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids Journal of the American Chemical Society, 2000, 122, 9227-9236 |
| 7241391 | CIF | C2 H2 O4 | P b c a | 6.5678; 6.0983; 7.8715 90; 90; 90 | 315.27 | Bhattacharya, Suman Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid CrystEngComm, 2020 |
| 2310655 | CIF | H2 O4 U | P b c a | 5.635; 6.285; 9.919 90; 90; 90 | 351.291 | Roof, R.B.jr.; Cromer, D.T.; Larson, A.C. The crystal structure of uranyl dihydroxide, U O2 (O H)2 Acta Crystallographica (1,1948-23,1967), 1964, 17, 701-705 |
| 1526047 | CIF | Ca1.8 O4 Ru Sr0.2 | P b c a | 5.3304; 5.319; 12.4094 90; 90; 90 | 351.836 | Friedt, O.; Braden, M.; Andre, G.; Adelmann, P.; Nakatsuji, S.; Maeno, Y. Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 1744321-17443210 |
| 2106215 | CIF | H2 O4 U | P b c a | 5.6438; 6.2867; 9.9372 90; 90; 90 | 352.581 | Taylor, J.C.; Hurst, H.J. The hydrogen atom locations in the alpha and beta forms of uranyl hydroxide Acta Crystallographica B (24,1968-38,1982), 1971, 27, 2018-2022 |
| 1526045 | CIF | Ca1.9 O4 Ru Sr0.1 | P b c a | 5.4207; 5.4802; 11.9395 90; 90; 90 | 354.681 | Friedt, O.; Nakatsuji, S.; Andre, G.; Adelmann, P.; Braden, M.; Maeno, Y. Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 1744321-17443210 |
| 1526044 | CIF | Ca2 O4 Ru | P b c a | 5.3945; 5.5999; 11.7653 90; 90; 90 | 355.414 | Friedt, O.; Nakatsuji, S.; Andre, G.; Adelmann, P.; Braden, M.; Maeno, Y. Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 1744321-17443210 |
| 6000750 | CIF | O3 | P b c a | 7.7888; 6.6973; 6.8413 90; 90; 90 | 356.87 | Marx, R.; Ibberson, R. M. Powder diffraction study on solid ozone Solid State Sciences, 2001, 3, 195-202 |
| 9008125 | CIF | O2 Te | P b c a | 12.035; 5.464; 5.607 90; 90; 90 | 368.712 | Beyer, H. Verfeinerung der kristallstruktur von tellurit, dem rhomischen TeO2 Zeitschrift fur Kristallographie, 1967, 124, 228-237 |
| 2108209 | CIF | C4 H4 O4 | P b c a | 4.7321; 6.9298; 11.2798 90; 90; 90 | 369.89 | Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157 |
| 2108208 | CIF | C4 H4 O4 | P b c a | 4.7757; 6.993; 11.3384 90; 90; 90 | 378.66 | Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157 |
| 9000258 | CIF | As2 Ni | P b c a | 5.753; 5.799; 11.407 90; 90; 90 | 380.556 | Fleet, M. E. The crystal structure of pararammelsbergite (NiAs2) American Mineralogist, 1972, 57, 1-9 |
| 9012410 | CIF | As2 Ni | P b c a | 5.77; 5.838; 11.419 90; 90; 90 | 384.652 | Stassen, W. N.; Heyding, R. D. Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2 Canadian Journal of Chemistry, 1968, 46, 2159-2163 |
| 9003426 | CIF | Mg O3 Si | P b c a | 14.074; 6.928; 4 90; 90; 90 | 390.019 | Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthopx with O3A-O3A-O3A angle = 180, O3B-O3B-O3B angle = 180, and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience American Mineralogist, 2004, 89, 614-628 |
| 9008882 | CIF | Sb Zn | P b c a | 6.218; 7.741; 8.115 90; 90; 90 | 390.604 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 85-237 |
| 2108207 | CIF | C4 H4 O4 | P b c a | 4.8571; 7.1033; 11.4462 90; 90; 90 | 394.91 | Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157 |
| 9003425 | CIF | Mg O3 Si | P b c a | 14.58; 6.928; 4 90; 90; 90 | 404.041 | Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthopx with O3A-O3A-O3A angle = 180, O3B-O3B-O3B angle = 120, and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience American Mineralogist, 2004, 89, 614-628 |
| 9004094 | CIF | Co S Sb | P b c a | 5.842; 5.951; 11.666 90; 90; 90 | 405.577 | Rowland, J. F.; Gabe, E. J.; Hall, S. R. The crystal structures of costibite (CoSbS) and paracostibite(CoSbS) The Canadian Mineralogist, 1975, 13, 188-196 |
| 2108206 | CIF | C4 H4 O4 | P b c a | 4.9209; 7.1818; 11.5243 90; 90; 90 | 407.28 | Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157 |
| 6000568 | CIF | C D2 N2 | P b c a | 6.559; 9.169; 6.775 90; 90; 90 | 407.44 | Torrie, B. H.; Vondreele, R.; Larson, A. C. Structure of solid cyanamide at 13-K Molecular Physics, 1992, 76, 405-410 |
| 1525682 | CIF | O3 Rh2 | P b c a | 5.1477; 5.4425; 14.6977 90; 90; 90 | 411.776 | Biesterbos, J.W.M.; Hornstra, J. The Crystal Structure of the high-temperature low-pressure Form of Rh2 O3 Journal of the Less-Common Metals, 1973, 30, 121-125 |
| 1534642 | CIF | Al H3 O3 | P b c a | 8.6857; 5.0521; 9.4954 90; 90; 90 | 416.668 | Liu, H.; Tse, J.S.; Hu, J.; Liu, Z.; Wang, L.; Weidner, D.J.; Chen, J.; Meng, Y.; Mao, H.-K.; Haeusermann, D. Structural Refinement of the High-Pressure Phase of Aluminium Trihydroxide: In-Situ High-Pressure Angle Dispersive Synchrotron X-ray Diffraction and Theoretical Studies J. Phys. Chem. B, 2005, 109, 8857-8860 |
| 8100905 | CIF | Hg O6 V2 | P b c a | 14.4557; 5.8975; 4.9371 90; 90; 90 | 420.9 | Mormann, Thomas J.; Jeitschko, Wolfgang Redetermination of the crystal structure of high-temperature modification of the mercury(II) hexaoxodivanadate(V), β-HgV~2~O~6~ Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 3-4 |
| 1534158 | CIF | Hg O6 V2 | P b c a | 14.43; 5.984; 4.925 90; 90; 90 | 425.269 | Angenault, J.; Rimsky, A. Structure cristalline de la phase Hg V2 O6 obtenue a haute temperature Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-), 1968, 266, 978-980 |
| 2100349 | CIF Paper | C6 H6 | P b c a | 7.221; 9.05; 6.59 90; 90; 90 | 430.7 | Budzianowski, Armand; Katrusiak, Andrzej Pressure-frozen benzene I revisited Acta Crystallographica Section B, 2006, 62, 94-101 |
| 2108205 | CIF | C4 H4 O4 | P b c a | 5.1174; 7.3666; 11.7174 90; 90; 90 | 441.72 | Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157 |
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