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 |
| 2100348 | CIF Paper | C6 H6 | P b c a | 7.287; 9.2; 6.688 90; 90; 90 | 448.4 | Budzianowski, Armand; Katrusiak, Andrzej Pressure-frozen benzene I revisited Acta Crystallographica Section B, 2006, 62, 94-101 |
| 9008881 | CIF | Cd Sb | P b c a | 6.471; 8.253; 8.526 90; 90; 90 | 455.332 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 85-237 |
| 2100350 | CIF Paper | C6 H6 | P b c a | 7.243; 9.31; 6.756 90; 90; 90 | 455.6 | Budzianowski, Armand; Katrusiak, Andrzej Pressure-frozen benzene I revisited Acta Crystallographica Section B, 2006, 62, 94-101 |
| 1536208 | CIF | Pt Sb Si | P b c a | 6.3128; 6.3347; 11.3945 90; 90; 90 | 455.663 | Wang, M.; Morgan, M.G.; Mar, A. Platinum silicon antimonide (Pt Si Sb) Journal of Solid State Chemistry, 2003, 175, 231-236 |
| 1532133 | CIF | H3 Na O2 | P b c a | 11.96; 6.221; 6.134 90; 90; 90 | 456.389 | Rustad, J.R.; Bylaska, E.J.; Rosso, K.M.; Felmy, A.R. Ab initio investigation of the structures of Na O H hydrates and their Na(+) and (O H)(-) coordination polyhedra American Mineralogist, 2003, 88, 436-449 |
| 7219346 | CIF | C4 H4 O4 | P b c a | 5.2399; 7.4388; 11.7763 90; 90; 90 | 459.02 | Hutchison, Ian B.; Delori, Amit; Wang, Xiao; Kamenev, Konstantin V.; Urquhart, Andrew J.; Oswald, Iain D. H. Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments CrystEngComm, 2015, 17, 1778 |
| 8103890 | CIF | Pt Si Te | P b c a | 6.119; 6.2; 12.379 90; 90; 90 | 469.632 | Mansuetto, M.F.; Ibers, J.A. Crystal structure of platinum silicon telluride, PtSiTe Zeitschrift fuer Kristallographie (149,1979-), 1994, 209, 708-708 |
| 2012674 | CIF Paper | Cu H4 O4 P2 | P b c a | 5.3014; 6.2319; 14.2427 90; 90; 90 | 470.55 | Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K. Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K Acta Crystallographica Section C, 2002, 58, i55-i60 |
| 2012673 | CIF HKL Paper | Cu H4 O4 P2 | P b c a | 5.3259; 6.272; 14.259 90; 90; 90 | 476.31 | Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K. Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K Acta Crystallographica Section C, 2002, 58, i55-i60 |
| 4501702 | CIF | C6 H6 | P b c a | 7.3801; 9.5154; 6.9029 90; 90; 90 | 484.75 | Katrusiak, Andrzej; Podsiadło, Marcin; Budzianowski, Armand Association CH···π and No van der Waals Contacts at the Lowest Limits of Crystalline Benzene I and II Stability Regions† Crystal Growth & Design, 2010, 10, 3461 |
| 7228602 | CIF | C2 F4 S2 | P b c a | 7.814; 5.7599; 10.8324 90; 90; 90 | 487.54 | nayak, susanta K.; Kumar, Vijith; Murray, Jane; Politzer, Peter; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe Fluorination promotes chalcogen/tetrel bonding in crystalline solids CrystEngComm, 2017 |
| 2104166 | CIF HKL Paper | C4 H4 N2 O2 | P b c a | 7.2155; 6.2725; 10.828 90; 90; 90 | 490.07 | Rychlewska, Urszula; Waścinska, Natalia; Warżajtis, Beata; Gawroński, Jacek Role of the <i>gauche</i> effect and local 1,3-dipole‒dipole interactions in stabilizing an unusual conformation of tartarodinitriles Acta Crystallographica Section B, 2008, 64, 497-503 |
| 1528796 | CIF | Bi2 Mo O6 | P b c a | 5.506; 16.226; 5.487 90; 90; 90 | 490.211 | Pertlik, F.; Zemann, J. Neubestimmung der Kristallstruktur des Koechlinits Fortschritte der Mineralogie, Beiheft, 1982, 60, 162-163 |
| 7202527 | CIF | Bi2 Nb O6 | P b c a | 5.428; 5.4261; 16.6564 90; 90; 90 | 490.6 | McCabe, E. E.; Jones, I. P.; Zhang, D.; Hyatt, N. C.; Greaves, C. Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride Journal of Materials Chemistry, 2007, 17, 1193 |
| 2310632 | CIF | As Na O2 | P b c a | 14.314; 6.779; 5.086 90; 90; 90 | 493.518 | Menary, J.W. The Crystal Structure of Sodium Polymetaarsenite (Na As O2)X Acta Crystallographica (1,1948-23,1967), 1958, 11, 742-743 |
| 2013927 | CIF HKL Paper | As Na O2 | P b c a | 6.7762; 5.0901; 14.3098 90; 90; 90 | 493.57 | Lee, Clare; Harrison, William T. A. The <i>catena</i>-arsenite chain anion, [AsO~2~]~<i>n~</i>^<i>n^{-</i>}: (H~3~NCH~2~CH~2~NH~3~)~0.5~[AsO~2~] and NaAsO~2~ (revisited) Acta Crystallographica Section C, 2004, 60, m215-m218 |
| 7238223 | CIF | C6 H6 | P b c a | 6.914; 7.476; 9.563 90; 90; 90 | 494.3 | Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives CrystEngComm, 2010, 12, 3112 |
| 1511464 | CIF | B Ca Li O3 | P b c a | 13.227; 6.1675; 6.062 90; 90; 90 | 494.523 | Xu, Y.P.; He, M.; Li, X.Z.; Dai, L.; Wu, L.; Li, H.; Chen, X.L. Structure determination of a new compound Li Ca B O3 Journal of Solid State Chemistry, 2004, 177, 1111-1116 |
| 2101620 | CIF Paper | Cl2 H6 N2 Pd | P b c a | 8.154; 8.1482; 7.7945 90; 90; 90 | 517.87 | Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L. Structures and isomerization in diamminedichloropalladium(II) Acta Crystallographica Section B, 1996, 52, 909-916 |
| 1536663 | CIF | Cl2 H6 N2 Pd | P b c a | 8.1513; 8.1513; 7.7971 90; 90; 90 | 518.068 | Kirik, S.D.; Krapivko, A.A.; Kruglik, A.I.; Yakimov, I.S. Determination of the crystal structure of beta-trans-Pd (N H3)2 Cl2 by the full-profile analysis technique. Kristallografiya, 1991, 36, 1563-1566 |
| 1509468 | CIF | Ag N O3 | P b c a | 6.995; 7.328; 10.118 90; 90; 90 | 518.642 | Trotter, J.; Gibbons, C.S. Crystal structure of exo-tricyclo(3.2.1.02,4)oct-6-ene-silver nitrate, and a refinement of the silver nitrate structure Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971), 1971, 1971, 2058-2062 |
| 1011268 | CIF | B Be2 H O4 | P b c a | 9.75; 12.204; 4.429 90; 90; 90 | 527 | Zachariasen, W H The crystalline structure of Hambergite Be2 B O3 (O H) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1931, 76, 289-302 |
| 9014644 | CIF | B Be2 F0.04 H0.96 O3.96 | P b c a | 9.762; 12.201; 4.43 90; 90; 90 | 527.64 | Gatta, G. D.; McIntyre, G. J.; Bromiley, G.; Guastoni, A.; Nestola, F. A single-crystal neutron diffraction study of hambergite, Be2BO3(OH,F) American Mineralogist, 2012, 97, 1891-1897 |
| 9004396 | CIF | B Be2 H O4 | P b c a | 9.776; 12.194; 4.43 90; 90; 90 | 528.094 | Burns, P. C.; Novak, M.; Hawthorne, F. C. Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM1 The Canadian Mineralogist, 1995, 33, 1205-1213 |
| 9004400 | CIF | B Be2 H O4 | P b c a | 9.654; 12.347; 4.4364 90; 90; 90 | 528.81 | Burns, P. C.; Novak, M.; Hawthorne, F. C. Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM5 The Canadian Mineralogist, 1995, 33, 1205-1213 |
| 9004398 | CIF | B Be2 H O4 | P b c a | 9.678; 12.313; 4.439 90; 90; 90 | 528.974 | Burns, P. C.; Novak, M.; Hawthorne, F. C. Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM3 The Canadian Mineralogist, 1995, 33, 1205-1213 |
| 9004397 | CIF | B Be2 H O4 | P b c a | 9.754; 12.231; 4.434 90; 90; 90 | 528.981 | Burns, P. C.; Novak, M.; Hawthorne, F. C. Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM2 The Canadian Mineralogist, 1995, 33, 1205-1213 |
| 1527607 | CIF | C Cu N S | P b c a | 10.994; 7.224; 6.662 90; 90; 90 | 529.1 | Kabesova, M.; Dunaj-Jurco, M.; Serator, M.; Gazo, J. Crystal structure of copper(I) thiocyanate and its relation to the crystal structure of copper(II) diammine dithiocyanate complex Inorganica Chimica Acta, 1976, 17, 161-165 |
| 7017101 | CIF | C2 H2 N4 S2 | P b c a | 5.979; 7.217; 12.281 90; 90; 90 | 529.9 | Moock, Klaus H.; Wong, Ken M.; Boeré, René T 1,5,2,4,6,8-Dithiatetrazocine. Synthesis, computation, crystallography and voltammetry of the parent heterocycle. Dalton transactions (Cambridge, England : 2003), 2011, 40, 11599-11604 |
| 9004399 | CIF | B Be2 H O4 | P b c a | 9.663; 12.364; 4.44 90; 90; 90 | 530.462 | Burns, P. C.; Novak, M.; Hawthorne, F. C. Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM4 The Canadian Mineralogist, 1995, 33, 1205-1213 |
| 4316838 | CIF | I2 O6 Pd | P b c a | 5.839; 6.037; 15.071 90; 90; 90 | 531.3 | Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Jiang-Gao Mao Polar or Non-Polar? Syntheses, Crystal Structures, and Optical Properties of Three New Palladium(II) Iodates Inorganic Chemistry, 2010, 49, 9581-9589 |
| 9017370 | CIF | O3 Se Zn | P b c a | 7.188; 6.225; 11.976 90; 90; 90 | 535.87 | Bensch, W.; Gunther, J. R. The crystal structure of beta-zinc selenite Zeitschrift fur Kristallographie, 1986, 174, 291-295 |
| 2220142 | CIF HKL Paper | C4 H8 N2 O2 | P b c a | 8.7138; 6.6714; 9.3162 90; 90; 90 | 541.58 | Yang, Jin-hui; Chen, Yan-xue; Wang, Shao-hui; Wang, Jian-lei <i>N</i>-(2-Formamidoethyl)formamide Acta Crystallographica Section E, 2008, 64, o2418 |
| 1534357 | CIF | O7 P2 Zr | P b c a | 8.245; 8.245; 8.245 90; 90; 90 | 560.495 | Chaunac, M. Etude cristallographique du pyrophosphate de zirconium Bulletin de la Societe Chimique de France (Vol=Year), 1971, 1971, 424-429 |
| 7209398 | CIF | Au Sn2 | P b c a | 6.898; 7.011; 11.773 90; 90; 90 | 569.364 | Wu, Z.; Rodewald, U.C.; Hoffmann, R.D.; Poettgen, R. Structure refinement of Au Sn2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 2006, 61, 108-110 |
| 5900014 | CIF | C2 H6 N4 O4 | P b c a | 10.67; 8.67; 6.16 90; 90; 90 | 569.85 | Llewellyn, F. J.; Whitmore, F. E. The crystal structure of s-bisnitroaminoethane (ethylene dinitroamine) Journal of the Chemical Society, 1948, 1316-1323 |
| 1510306 | CIF | Au Sn2 | P b c a | 6.909; 7.037; 11.789 90; 90; 90 | 573.165 | Schubert, K.; Gohle, R.; Breimer, H. Zum Aufbau der Systeme Gold-Indium, Gold-Zinn, Gold-Indium Zinn uns Gold-Zinn-Antimon Zeitschrift fuer Metallkunde, 1959, 50, 146-153 |
| 2102059 | CIF Paper | Br2 H6 N2 Pd | P b c a | 8.4315; 8.4206; 8.0916 90; 90; 90 | 574.49 | Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S. Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state Acta Crystallographica, Section B: Structural Science, 2000, 56, 419-425 |
| 1510986 | CIF | B2 Cl4 | P b c a | 11.9; 6.281; 7.69 90; 90; 90 | 574.781 | Atoji, M.; Wheatley, P.J.; Lipscomb, W.N. Molecular Structure of Diborane Tetrachloride, B2 Cl4 Journal of Chemical Physics, 1955, 23, 1176-1176 |
| 1527685 | CIF | O7 Tc2 | P b c a | 13.756; 7.439; 5.617 90; 90; 90 | 574.793 | Krebs, B. Technetium(VII)-oxid: Ein Uebergangsmetalloxid mit Molekuelstruktur im festen Zustand Zeitschrift fuer Anorganische und Allgemeine Chemie, 1971, 380, 146-159 |
| 1528556 | CIF | O3 Te Zn | P b c a | 7.36; 6.38; 12.32 90; 90; 90 | 578.508 | Hanke, K. Zinktellurit: Kristallstruktur und Beziehungen zu einigen Seleniten Naturwissenschaften, 1967, 54, 199-199 |
| 4344131 | CIF | B D3 F3 N | P b c a | 7.979; 7.925; 9.1956 90; 90; 90 | 581.471 | Penner, G.H.; Ruscitti, B.; Reynolds, J.; Swainson, I. Structure and dynamics of N D3 B F3 in the solid and gas phases: a combined NMR, neutron diffraction and ab initio study Inorganic Chemistry, 2002, 41, 7064-7071 |
| 1502675 | CIF | B F3 H3 N | P b c a | 8.0067; 7.9511; 9.2216 90; 90; 90 | 587.07 | Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts. The journal of physical chemistry. A, 2010, 114, 10185-10196 |
| 4119774 | CIF HKL | C2 N2 Zn | P b c a | 12.65365; 6.96095; 6.71431 90; 90; 90 | 591.41 | Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2 Journal of the American Chemical Society, 2013, 135, 7621-7628 |
| 9012373 | CIF | Ca Mn2 O4 | P b c a | 6.2545; 9.8995; 9.627 90; 90; 90 | 596.069 | Zouari, S.; Ranno, L.; Cheikh-Rouhou A; Isnard, O.; Pernet, M.; Wolfers, P.; Strobel, P. New model for the magnetic structure of the marokite-type oxide CaMn2O4 Note: reported bond lengths are inconsistent with reported structure Sample: T = 1.5 K Journal of Alloys and Compounds, 2003, 353, 5-11 |
| 1534628 | CIF | B F3 H3 N | P b c a | 8.0726; 8.0048; 9.2431 90; 90; 90 | 597.285 | Goebbels, D.; Meyer, G. Aufbau und Abbau von (N H4) (B F4) und (H3 N)-(B F3) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1799-1805 |
| 4119773 | CIF HKL | C2 N2 Zn | P b c a | 12.67156; 6.99321; 6.77444 90; 90; 90 | 600.32 | Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2 Journal of the American Chemical Society, 2013, 135, 7621-7628 |
| 7205543 | CIF | C6 H4 S Se | P b c a | 9.9543; 5.9678; 10.1404 90; 90; 90 | 602.39 | Mishra, Sarada P.; Javier, Anna E.; Zhang, Rui; Liu, Junying; Belot, John A.; Osaka, Itaru; McCullough, Richard D. Mixed selenium-sulfur fused ring systems as building blocks for novel polymers used in field effect transistors Journal of Materials Chemistry, 2011, 21, 1551 |
| 2220380 | CIF HKL Paper | C4 H8 N2 O4 | P b c a | 6.5065; 7.2634; 12.772 90; 90; 90 | 603.6 | Taheri, Amir; Moosavi, Sayed Mojtaba (1<i>R</i>,2<i>S</i>)-<i>N</i>,<i>N</i>'-(1,2-Dihydroxyethylene)diformamide Acta Crystallographica Section E, 2008, 64, o2316 |
| 4106960 | CIF | B H5 N Na | P b c a | 5.6446; 7.425; 14.514 90; 90; 90 | 608.3 | David J. Wolstenholme; James T. Titah; Franklin N. Che; Kyle T. Traboulsee; Jenna Flogeras; G. Sean McGrady Homopolar Dihydrogen Bonding in Alkali-Metal Amidoboranes and Its Implications for Hydrogen Storage Journal of the American Chemical Society, 2011, 133, 16598-16604 |
| 1534244 | CIF | Cl2 Yb | P b c a | 13.18; 6.96; 6.7 90; 90; 90 | 614.61 | Beck, H.P.; Baernighausen, H. Zur Kristallchemie der Ytterbium(II)-Halogenide Yb Cl2 und Yb Br2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1971, 386, 221-228 |
| 2200380 | CIF | B H4 Li O4 | P b c a | 7.9362; 8.522; 9.1762 90; 90; 90 | 620.61 | Fronczek, Frank R.; Aubry, David A.; Stanley, George G. Refinement of lithium tetrahydroxoborate with low-temperature CCD data Acta Crystallographica, Section E, 2001, 57, i62-i63 |
| 2311074 | CIF | B F3 H3 N | P b c a | 8.22; 8.11; 9.31 90; 90; 90 | 620.644 | Hoard, J.L.; Geller, S.; Cashin, W.M. Structures of molecular addition compounds. III.ammonia-boron trifluoride, H3 N B F3 Acta Crystallographica (1,1948-23,1967), 1951, 4, 396-398 |
| 4324803 | CIF | C H N5 | P b c a | 8.177; 6.835; 11.13 90; 90; 90 | 622.1 | Thomas M. Klapötke; Davin G. Piercey 1,1'-Azobis(tetrazole): A Highly Energetic Nitrogen-Rich Compound with a N10 Chain Inorganic Chemistry, 2011, 50, 2732-2734 |
| 1000133 | CIF | H4 N2 O8 Pd | P b c a | 5.0036; 10.6073; 11.7223 90; 90; 90 | 622.2 | Laligant, Y; Ferey, G; Le Bail, A Crystal structure of Pd (N O3)2 (H2 O)2 Materials Research Bulletin, 1991, 26, 269-275 |
| 1542044 | CIF | B H4 Li O4 | P b c a | 9.169; 7.958; 8.548 90; 90; 90 | 623.721 | Kutschabsky, L.; Reck, G. Anwendung der Methode der linearen Strukturfaktorgleichungssysteme zur Bestimmung des Strukturprinzips zentrosymmetrischer Strukturen aus Harkerschnitten Monatsberichte der Deutschen Akademie der Wissenschaften zu Berlin, 1966, 8, 648-654 |
| 7211954 | CIF | C2 H Cd O3 | P b c a | 6.8958; 5.8147; 15.8331 90; 90; 90 | 634.86 | Zheng, Bo; Bai, Junfeng; Zhang, Zhuxiu pH-Controlled change of the coordination modes of the highly symmetrical multitopic ligand and metal‒oxygen arrays for constructing coordination assemblies CrystEngComm, 2010, 12, 49 |
| 7206205 | CIF | C2 H2 Cl N | P b c a | 7.7821; 7.0635; 11.62 90; 90; 90 | 638.7 | Olejniczak, Anna; Katrusiak, Andrzej Structure‒property relations in chloroacetonitriles CrystEngComm, 2011, 13, 5212 |
| 2300266 | CIF | C D7 N O | P b c a | 11.0386; 7.65471; 7.58467 90; 90; 90 | 640.88 | Fortes, A. D.; Wood, I. G.; Knight, K. S. The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K Journal of Applied Crystallography, 2010, 43, 328-336 |
| 2300260 | CIF | C D7 N O | P b c a | 11.0232; 7.66076; 7.59127 90; 90; 90 | 641.053 | Fortes, A. D.; Wood, I. G.; Knight, K. S. The crystal structure of perdeuterated methanol monoammoniate (CD~3~OD·ND~3~) determined from neutron powder diffraction data at 4.2 and 180K Journal of Applied Crystallography, 2009, 42, 1054-1061 |
| 3000239 | On hold until 2020-04-22 | O4 Si Zn2 | P b c a | 10.8823; 9.7025; 6.0886 90; 90; 90 | 642.868 | Kanzaki, M. High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 IV structure at 0 K) To be published |
| 1530246 | CIF | Ca0.46 Cl2 Sr0.54 | P b c a | 13.421; 7.053; 6.817 90; 90; 90 | 645.286 | Lasocha, W.; Eick, H.A. The Structure of Ca0.3 Sr0.7 Cl2 and Ca0.46 Sr0.54 Cl2 by the X-Ray Rietveld Refinement Procedure Journal of Solid State Chemistry, 1988, 75, 175-182 |
| 1544332 | CIF | O4 Si Zn2 | P b c a | 10.9179; 9.6728; 6.1184 90; 90; 90 | 646.14 | Liu, X.; Kanzaki, M.; Xue, X. Crystal structures of Zn2SiO4 III and IV synthesized at 6.5-8 GPa and 1,273 K Physics and Chemistry of Minerals, 2013, 40, 467-478 |
| 2105702 | CIF | C3 H4 O | P b c a | 6.97; 9.514; 9.752 90; 90; 90 | 646.7 | Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd Significant progress in predicting the crystal structures of small organic molecules ‒ a report on the fourth blind test Acta Crystallographica Section B Structural Science, 2009, 65, 107-125 |
| 2007420 | CIF Paper | C2 H5 Li O2 | P b c a | 5.0283; 8.0427; 16.03 90; 90; 90 | 648.27 | Mamak, Marc; Zavalij, Peter Y.; Whittingham, M. Stanley Layered Structure of Lithium Ethylene Glycolate, Li(OCH~2~CH~2~OH) Acta Crystallographica Section C, 1998, 54, 937-939 |
| 4001063 | CIF | La O4 Ta | P b c a | 7.82857; 11.21789; 7.46427 90; 90; 90 | 655.512 | Nyman, May; Rodriguez, Mark A.; Rohwer, Lauren E.S.; Martin, James E.; Waller, Mollie; Osterloh, Frank E. Unique LaTaO4Polymorph for Multiple Energy Applications Chemistry of Materials, 2009, 21, 4731 |
| 2100339 | CIF Paper | C3 H7 N | P b c a | 5.0741; 9.7594; 13.305 90; 90; 90 | 658.87 | Lozano-Casal, Patricia; Allan, David R.; Parsons, Simon Pressure-induced polymorphism in cyclopropylamine Acta Crystallographica Section B, 2005, 61, 717-723 |
| 2236654 | CIF HKL Paper | C4 H4 Br2 O2 | P b c a | 6.945; 5.542; 17.238 90; 90; 90 | 663.48 | Zai, De-Xin 1,4-Dibromobutane-2,3-dione Acta Crystallographica Section E, 2012, 68, o3245 |
| 7219430 | CIF | C3 H7 N O2 | P b c a | 9.1235; 12.78; 5.7014 90; 90; 90 | 664.8 | Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V. β-Alanine under pressure: towards understanding the nature of phase transitions CrystEngComm, 2015, 17, 2074 |
| 2300268 | CIF | C D7 N O | P b c a | 11.20962; 7.74564; 7.6781 90; 90; 90 | 666.66 | Fortes, A. D.; Wood, I. G.; Knight, K. S. The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K Journal of Applied Crystallography, 2010, 43, 328-336 |
| 2300261 | CIF | C D7 N O | P b c a | 11.21169; 7.74663; 7.68077 90; 90; 90 | 667.096 | Fortes, A. D.; Wood, I. G.; Knight, K. S. The crystal structure of perdeuterated methanol monoammoniate (CD~3~OD·ND~3~) determined from neutron powder diffraction data at 4.2 and 180K Journal of Applied Crystallography, 2009, 42, 1054-1061 |
| 4302639 | CIF | ? | P b c a | 10.0077; 11.921; 5.5978 90; 90; 90 | 667.828 | Philippe F. Weck; Eunja Kim; Frédéric Poineau; Efrain E. Rodriguez; Alfred P. Sattelberger; Kenneth R. Czerwinski Technetium(IV) Halides Predicted from First-Principles Inorganic Chemistry, 2009, 48, 6555-6558 |
| 7702784 | CIF | C6 H4 B2 O4 | P b c a | 10.416; 5.2697; 12.231 90; 90; 90 | 671.3 | Aldridge, Simon; Calder, Richard J.; Rossin, Andrea; Dickinson, Anthony A.; Willock, David J.; Jones, Cameron; Evans, David J.; Steed, Jonathan W.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B. Linking of metal centres through boryl ligands: synthesis, spectroscopic and structural characterisation of symmetrically bridged boryl complexes Journal of the Chemical Society, Dalton Transactions, 2002, 2020 |
| 2102061 | CIF Paper | H6 I2 N2 Pd | P b c a | 8.8347; 8.841; 8.6081 90; 90; 90 | 672.36 | Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S. Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state Acta Crystallographica, Section B: Structural Science, 2000, 56, 419-425 |
| 1509291 | CIF | Ag Cu O4 P | P b c a | 7.5; 15.751; 5.702 90; 90; 90 | 673.592 | Oumba, M.T.; Quarton, M. Proprietes de l'ion Cu2+ dans la structure de Ag Cu P O4 - beta Materials Research Bulletin, 1983, 18, 967-974 |
| 1511039 | CIF | B Cl Mg2 N2 | P b c a | 6.6139; 9.766; 10.6 90; 90; 90 | 684.668 | Somer, M.; Cardoso Gil, R.; Borrmann, H.; Kuetuekcue, M.N.; Carillo-Cabrera, W. Mg2 (B N2) Cl and Mg8 (B N2)5 I: Novel magnesium nitridoborate halides - syntheses, crystal structures and vibrational spectra Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 1015-1021 |
| 7104034 | CIF | C H4 N S Zn | P b c a | 17.26305; 6.39336; 6.20451 90; 90; 90 | 684.785 | Ouyang, Xiang; Tsai, Tsung-Yen; Chen, Dong-Hwang; Huang, Qi-Jie; Cheng, Wu-Hsun; Clearfield, Abraham Ab initio structure study from in-house powder diffraction of a novel ZnS(EN)0.5 structure with layered wurtzite ZnS fragment Chemical Communications (Cambridge, United Kingdom), 2003, 886-887 |
| 1100120 | CIF | C2 Ba2 Co F2 O6 | P b c a | 6.6226; 11.494; 9.021 90; 90; 90 | 686.68 | Ben Ali, A.; Maisonneuve, V.; Kodjikian, S.; Smiri, L. S.; Leblanc, M. Synthesis, crystal structure and magnetic properties of a new fluoride carbonate Ba~2~Co(CO~3~)~2~F~2~ Solid State Sciences, 2002, 4, 503-506 |
| 7206163 | CIF | C3 H4 O | P b c a | 7.134; 9.694; 9.93 90; 90; 90 | 686.7 | Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R. Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes. Physical chemistry chemical physics : PCCP, 2011, 13, 14076-14091 |
| 7219428 | CIF | C3 H7 N O2 | P b c a | 9.431; 12.826; 5.6952 90; 90; 90 | 688.9 | Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V. β-Alanine under pressure: towards understanding the nature of phase transitions CrystEngComm, 2015, 17, 2074 |
| 7231972 | CIF | C2 H2 N8 O4 | P b c a | 9.4039; 7.8696; 9.4732 90; 90; 90 | 701.1 | Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials CrystEngComm, 2019, 21, 765 |
| 7111227 | CIF | C8 H10 | P b c a | 7.0594; 5.9531; 16.743 90; 90; 90 | 703.63 | Bond, Andrew D. C???H????? interactions in the low-temperature crystal structures of ??,??-unsaturated linear hydrocarbonsElectronic supplementary (ESI) information available: experimental details of crystal growth for 1???4, lattice-energy calculations for 1???4 and the n-alkanes, and definition and determination of the planar packing densities. See http://www.rsc.org/suppdata/cc/b2/b204261d/ Chemical Communications, 2002, 1664 |
| 1510264 | CIF | Au O4 S | P b c a | 8.549; 8.249; 10.011 90; 90; 90 | 705.983 | Wickleder, M.S. Au S O4 : a true gold(II) sulfate with Au2(4+) ion Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2112-2114 |
| 4119772 | CIF HKL | C2 N2 Zn | P b c a | 12.2842; 7.6537; 7.5151 90; 90; 90 | 706.57 | Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2 Journal of the American Chemical Society, 2013, 135, 7621-7628 |
| 1535419 | CIF | Cr2 Li4 N6 Sr2 | P b c a | 9.14; 7.3541; 10.5355 90; 90; 90 | 708.159 | Hochrein, O.; Kniep, R.; Kohout, M.; Schnelle, W. Li4 Sr2 (Cr2 N6): ein Hexanitridodichromat(V) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 2738-2743 |
| 4322570 | CIF | Cu2 S2 Sm2 Te2 | P b c a | 7.5195; 12.637; 7.5287 90; 90; 90 | 715.41 | Fu Qiang Huang; James A. Ibers Syntheses, Structures, and Theoretical Study of LaCuSTe and SmCuSTe Inorganic Chemistry, 1999, 38, 5978-5983 |
| 1523950 | CIF | H4 I2 Ni O8 | P b c a | 9.14986; 12.209; 6.58353 90; 90; 90 | 735.45 | Abrahams, S.C.; Verschoor, G.C.; Bernstein, J.L.; Elemans, J.B.A.A. Paramagnetic Ni (I O3)2 * 2(H2 O). Crystal structure of the transition-metal iodates. I Journal of Chemical Physics, 1973, 59, 2007-2018 |
| 1525973 | CIF | D4 I2 Ni O8 | P b c a | 9.158; 12.206; 6.584 90; 90; 90 | 735.976 | Elemans, J.B.A.A.; van Laar, B.; Loopstra, B.O. The crystallographic and magnetic structure of Ni (I O3)2 (H2 O)2 Physica (Utrecht) (18,1952-78,1974), 1972, 57, 215-220 |
| 1008316 | CIF | Ce I S | P b c a | 7.33; 7.05; 14.35 90; 90; 90 | 741.6 | Beck, H P; Strobel, C Zur Hochdruckpolymorphie der Seltenerdsulfidiodide Ln S I Zeitschrift fuer Anorganische und Allgemeine Chemie, 1986, 535, 229-239 |
| 2300662 | CIF Paper | C6 Fe14 | P b c a | 11.9698; 4.524; 13.7658 90; 90; 90 | 745.44 | Gromilov, Sergey; Chepurov, Anatoly; Sonin, Valeri; Zhimulev, Egor; Sukhikh, Aleksandr; Chepurov, Aleksei; Shcheglov, Dmitry Formation of two crystal modifications of Fe7C3−x at 5.5 GPa Journal of Applied Crystallography, 2019, 52, 1378 |
| 2220789 | CIF HKL Paper | C8 H10 O2 | P b c a | 7.1757; 6.2769; 16.5573 90; 90; 90 | 745.76 | Iuliucci, Robbie; Hoop, Cody L.; Arif, Atta M.; Harper, James K.; Pugmire, Ronald J.; Grant, David M. Redetermination of 1,4-dimethoxybenzene Acta Crystallographica Section E, 2009, 65, o251 |
| 7221185 | CIF | C H3 N5 O | P b c a | 9.8873; 5.5314; 13.6734 90; 90; 90 | 747.81 | Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability RSC Adv., 2015, 5, 60005 |
| 6000578 | CIF | Fe O4 P | P b c a | 9.171; 9.456; 8.675 90; 90; 90 | 752.3 | Song, Y. N.; Zavalij, P. Y.; Suzuki, M.; Whittingham, M. S. New iron(III) phosphate phases: Crystal structure and electrochemical and magnetic properties Inorganic Chemistry, 2002, 41, 5778-5786 |
| 4318790 | CIF | Fe O4 P | P b c a | 8.6753; 9.1708; 9.4564 90; 90; 90 | 752.35 | Yanning Song; Peter Y. Zavalij; Masatsugu Suzuki; M. Stanley Whittingham New Iron(III) Phosphate Phases: Crystal Structure and Electrochemical and Magnetic Properties Inorganic Chemistry, 2002, 41, 5778-5786 |
| 1537589 | CIF | C2 N2 S | P b c a | 8.6; 6.85; 12.8 90; 90; 90 | 754.048 | Linke, K.H.; Lemmer, F. Roentgenographische Cristallstrukturanalyse von Schwefeldicyanid Zeitschrift fuer Anorganische und Allgemeine Chemie, 1966, 345, 203-210 |
| 2310375 | CIF | C2 N2 S | P b c a | 8.56; 6.87; 12.84 90; 90; 90 | 755.084 | Emerson, K. The Crystal and Molecular Structure of Sulfur Dicyanide Acta Crystallographica (1,1948-23,1967), 1966, 21, 970-974 |
| 4306092 | CIF | C2 N2 Se | P b c a | 8.632; 6.847; 12.8151 90; 90; 90 | 757.4 | Thomas M. Klapötke; Burkhard Krumm; Matthias Scherr Homoleptic Selenium Cyanides: Attempted Preparation of Se(CN)4 and Redetermination of the Crystal Structure of Se(CN)2 Inorganic Chemistry, 2008, 47, 7025-7028 |
| 7221273 | CIF | Ca4 Mn2 O9.926 Ti | P b c a | 5.31411; 5.31148; 26.9138 90; 90; 90 | 759.663 | Battle, P.D.; Vente, J.F.; Blundell, S.J.; Coldea, A.I.; Spring, L.E.; Cussen, E.J.; Singleton, J.; Rosseinsky, M.J. Crystal structure and electronic properties of Ca4 Mn2 Ti O9.93, an n=3 Ruddlesden-Popper compound Journal of Materials Chemistry, 2001, 11, 160-167 |
| 1533713 | CIF | Bi0.693 Ca3.093 Mn3 O10 | P b c a | 5.3398; 5.3419; 26.8336 90; 90; 90 | 765.42 | Sousa, P.M.; Carvalho, M.D.; Melo Jorge, M.E.; Cruz, M.M.; Costa, F.M.; Godinho, M. Bismuth for calcium substitution in Ca4 Mn3 O10: preparation and study Solid State Sciences, 2003, 5, 943-949 |
| 2002895 | CIF Paper | Al1.55 Na1.55 O4 Si0.45 | P b c a | 10.385; 14.198; 5.1925 90; 90; 90 | 765.6 | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures Acta Crystallographica Section B, 1998, 54, 531-546 |
| 9016572 | CIF | Fe0.087 Mg0.913 O3 Si | P b c a | 17.868; 8.491; 5.0565 90; 90; 90 | 767.158 | Zhang, J. S.; Dera, P.; Bass, J. D. A new high-pressure phase transition in natural Fe-bearing orthoenstatite Note: P = 12.66 GPa American Mineralogist, 2012, 97, 1070-1074 |
| 1528895 | CIF | Ga Li5 O4 | P b c a | 9.173; 9.094; 9.202 90; 90; 90 | 767.624 | Stewner, F.; Hoppe, R. Ueber 'Kationen-reiche' Oxide. Zur Kenntnis von Li5 Ga O4 und Li5 Al O4 Naturwissenschaften, 1968, 55, 297-297 |
| 2000122 | CIF | C6 D4 I2 | P b c a | 17; 7.323; 6.168 90; 90; 90 | 767.86 | Alcobé, Xavier; Estop, Eugènia; Aliev, Abil E.; Harris, Kenneth D. M.; Rodríguez-Carvajal, Juan; Rius, Jordi Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron Diffraction and High-Resolution Solid State 13C NMR Investigations Journal of Solid State Chemistry, 1994, 110, 20-27 |
| 5900028 | CIF | C6 H16 N2 | P b c a | 6.94; 5.77; 19.22 90; 90; 90 | 769.64 | Binnie, W. P.; Robertson, J. M. The crystal structure of hexamethylenediamine Acta Crystallographica, 1950, 3, 424-429 |
| 2002893 | CIF Paper | Al1.75 Na1.75 O4 Si0.25 | P b c a | 10.416; 14.25; 5.2038 90; 90; 90 | 772.4 | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures Acta Crystallographica Section B, 1998, 54, 531-546 |
| 4311197 | CIF | Ca8 N16 Si8 | P b c a | 5.1229; 10.2074; 14.8233 90; 90; 90 | 775.13 | Zoltán A. Gál; Phillip M. Mallinson; Heston J. Orchard; Simon J. Clarke Synthesis and Structure of Alkaline Earth Silicon Nitrides: BaSiN2, SrSiN2, and CaSiN2 Inorganic Chemistry, 2004, 43, 3998-4006 |
| 9016265 | CIF | Mg O3 Si | P b c a | 17.897; 8.575; 5.0664 90; 90; 90 | 777.524 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 9.36(5) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 1542046 | CIF | Fe Li5 O4 | P b c a | 9.218; 9.213; 9.159 90; 90; 90 | 777.832 | Luge, R.; Hoppe, R. Zur Kenntnis von Li5 Fe O4. Mit einer Notiz ueber Mischkristalle Na5 Fe1-x Gax O4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1984, 513, 141-150 |
| 9014447 | CIF | Mg O3 Si | P b c a | 17.916; 8.59; 5.0726 90; 90; 90 | 780.665 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 8.65(7) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 2207170 | CIF HKL Paper | C10 H10 O2 | P b c a | 7.434; 5.972; 17.603 90; 90; 90 | 781.5 | Jian-Ming Gu; Xiu-Rong Hu; Wei-Ming Xu 2,3,6,7-Tetrahydrobenzo[1,2-<i>b</i>;4,5-<i>b</i>']difuran Acta Crystallographica Section E, 2005, 61, o3674-o3675 |
| 9014983 | CIF | Mg O3 Si | P b c a | 17.933; 8.595; 5.0766 90; 90; 90 | 782.477 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 8.26(6) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9001601 | CIF | Mg O3 Si | P b c a | 17.95; 8.604; 5.08 90; 90; 90 | 784.564 | Hugh-Jones D A; Angel, R. J. A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 8.10 GPa American Mineralogist, 1994, 79, 405-410 |
| 9003430 | CIF | Mg O3 Si | P b c a | 18.027; 8.683; 5.013 90; 90; 90 | 784.677 | Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite at 8.10 GPa after Hugh-Jones and Angel (1994) with O3A-O3A-O3A angle = 158.5, O3B-O3B-O3B angle = 136.4, and model oxygen radius = 1.276 American Mineralogist, 2004, 89, 614-628 |
| 2200108 | CIF Paper | C4 H4 Mo2 N2 O6 | P b c a | 7.566; 7.39; 14.04 90; 90; 90 | 785 | Liang, Yucang; Hong, Maochun; Cao, Rong; Sun, Daofeng; Weng, Jiabao Polymeric tri-μ-oxo(pyrazine)molybdenum(VI) Acta Crystallographica Section E, 2001, 57, m159-m161 |
| 4000083 | CIF | C H4 Mn N Se | P b c a | 6.711; 6.614; 17.72 90; 90; 90 | 786.5 | Huang, Xiaoying; Heulings, IV, Harry R.; Le, Vina; Li, Jing Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement Chemistry of Materials, 2001, 13, 3754-3759 |
| 7004808 | CIF | Ag N3 O4 | P b c a | 5.804; 9.7496; 13.9105 90; 90; 90 | 787.15 | Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias First structural characterization of solvate-free silver dinitramide, Ag[N(NO2)2] Dalton Transactions, 2008, 5876-5878 |
| 2101702 | CIF Paper | Al0.15 Mg0.79 Na1.74 O4 Si1.06 | P b c a | 10.487; 14.351; 5.243 90; 90; 90 | 789.1 | Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert A Modulation Wave Approach to the Structural Characterization of Three New Cristobalite-Related Sodium Magnesiosilicates Acta Crystallographica Section B, 1997, 53, 203-220 |
| 9001600 | CIF | Mg O3 Si | P b c a | 17.983; 8.6241; 5.0902 90; 90; 90 | 789.425 | Hugh-Jones D A; Angel, R. J. A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 7.00 GPa American Mineralogist, 1994, 79, 405-410 |
| 9014535 | CIF | Mg O3 Si | P b c a | 17.982; 8.633; 5.0926 90; 90; 90 | 790.568 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 6.57(5) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9010430 | CIF | Al0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848 | P b c a | 17.977; 8.61; 5.1227 90; 90; 90 | 792.902 | Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Secco, L.; Dal Negro, A. The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene Sample: P = 9.562 GPa American Mineralogist, 2008, 93, 644-652 |
| 9004033 | CIF | Ca0.07 Mg1.93 O6 Si2 | P b c a | 18.022; 8.6578; 5.085 90; 90; 90 | 793.417 | Nestola, F.; Gatta, G. D.; Ballaran, T. B. The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 6.25 GPa American Mineralogist, 2006, 91, 809-815 |
| 9001599 | CIF | Mg O3 Si | P b c a | 18.011; 8.652; 5.102 90; 90; 90 | 795.051 | Hugh-Jones D A; Angel, R. J. A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 5.85 GPa American Mineralogist, 1994, 79, 405-410 |
| 9006442 | CIF | Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 | P b c a | 18; 8.642; 5.115 90; 90; 90 | 795.669 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 6.01 GPa, natural orthopyroxene Physics and Chemistry of Minerals, 1997, 24, 301-310 |
| 9016257 | CIF | Mg O3 Si | P b c a | 18.019; 8.668; 5.1073 90; 90; 90 | 797.703 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 5.21(7) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9010429 | CIF | Al0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848 | P b c a | 18.0221; 8.6456; 5.1327 90; 90; 90 | 799.736 | Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Secco, L.; Dal Negro, A. The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene Sample: P = 8.033 GPa American Mineralogist, 2008, 93, 644-652 |
| 9001598 | CIF | Mg O3 Si | P b c a | 18.0455; 8.6708; 5.1119 90; 90; 90 | 799.853 | Hugh-Jones D A; Angel, R. J. A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 4.95 GPa American Mineralogist, 1994, 79, 405-410 |
| 1559465 | CIF | O3 Pb S2 | P b c a | 7.18; 6.9195; 16.1096 90; 90; 90 | 800.357 | Christensen, A. Norlund; Hazell, R. G.; Hewat, A. W.; O Reilly, K. P. J. The Crystal Structure of PbS2O3 Acta Chemica Scandinavica, 1991, 45, 469-473 |
| 1559464 | CIF | O3 Pb S2 | P b c a | 7.1801; 6.9197; 16.1154 90; 90; 90 | 800.68 | Christensen, A. Norlund; Hazell, R. G.; Hewat, A. W.; O Reilly, K. P. J. The Crystal Structure of PbS2O3 Acta Chemica Scandinavica, 1991, 45, 469-473 |
| 9006435 | CIF | Fe0.41 Mg0.59 O3 Si | P b c a | 18.035; 8.682; 5.1138 90; 90; 90 | 800.718 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 7.50 GPa, synthetic En60 orthopyroxene Physics and Chemistry of Minerals, 1997, 24, 301-310 |
| 9006441 | CIF | Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 | P b c a | 18.051; 8.6683; 5.1244 90; 90; 90 | 801.822 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.93 GPa, natural orthopyroxene Physics and Chemistry of Minerals, 1997, 24, 301-310 |
| 9016052 | CIF | Mg O3 Si | P b c a | 18.056; 8.692; 5.1192 90; 90; 90 | 803.421 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 4.19(4) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9001597 | CIF | Mg O3 Si | P b c a | 18.071; 8.6929; 5.1214 90; 90; 90 | 804.518 | Hugh-Jones D A; Angel, R. J. A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 4.09 GPa American Mineralogist, 1994, 79, 405-410 |
| 1541947 | CIF | Bi Cr H O5 | P b c a | 11.311; 9.728; 7.314 90; 90; 90 | 804.784 | Aurivillius, B.; Loewenhielm, A. The crystal structure of the orthorhombic modification of Bi O H Cr O4. A refinement of the structure of monoclinic Bi O H Cr O4 Acta Chemica Scandinavica (1-27,1973-42,1988), 1964, 18, 1937-1957 |
| 9006434 | CIF | Fe0.41 Mg0.59 O3 Si | P b c a | 18.0665; 8.706; 5.1236 90; 90; 90 | 805.875 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 6.59 GPa, synthetic En60 orthopyroxene Physics and Chemistry of Minerals, 1997, 24, 301-310 |
| 4113796 | CIF | C H4 Cd N Se | P b c a | 7.09494; 6.79535; 16.7212 90; 90; 90 | 806.17 | Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties Journal of the American Chemical Society, 2003, 125, 7049-7055 |
| 9006440 | CIF | Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 | P b c a | 18.077; 8.6907; 5.1349 90; 90; 90 | 806.702 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.03 GPa, natural orthopyroxene Physics and Chemistry of Minerals, 1997, 24, 301-310 |
| 2004707 | CIF Paper | C2 H8 Br2 Si2 | P b c a | 8.104; 9.975; 9.986 90; 90; 90 | 807.2 | Mitzel, N. W.; Riede, J.; Schmidbaur, H. 1,4-Dibromo-1,4-disilabutane Acta Crystallographica Section C, 1996, 52, 980-982 |
| 9004032 | CIF | Ca0.07 Mg1.93 O6 Si2 | P b c a | 18.108; 8.7215; 5.12 90; 90; 90 | 808.596 | Nestola, F.; Gatta, G. D.; Ballaran, T. B. The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 3.94 GPa American Mineralogist, 2006, 91, 809-815 |
| 7211979 | CIF | C2 H5 N5 | P b c a | 5.3783; 11.086; 13.58 90; 90; 90 | 809.7 | Konovalova, Irina S.; Shishkina, Svitlana V.; Paponov, Boris V.; Shishkin, Oleg V. Analysis of the crystal structure of two polymorphic modifications of 3,4-diamino-1,2,4-triazole based on the energy of the intermolecular interactions CrystEngComm, 2010, 12, 909 |
| 9007618 | CIF | Al H4 O6 P | P b c a | 9.822; 8.561; 9.63 90; 90; 90 | 809.75 | Kniep, R.; Mootz, D.; Vegas, A. Variscite Acta Crystallographica, Section B, 1977, 33, 263-265 |
| 9006433 | CIF | Fe0.41 Mg0.59 O3 Si | P b c a | 18.0912; 8.724; 5.1315 90; 90; 90 | 809.892 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 5.77 GPa, synthetic En60 orthopyroxene Physics and Chemistry of Minerals, 1997, 24, 301-310 |
| 9001596 | CIF | Mg O3 Si | P b c a | 18.1045; 8.7181; 5.1327 90; 90; 90 | 810.129 | Hugh-Jones D A; Angel, R. J. A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 3.27 GPa American Mineralogist, 1994, 79, 405-410 |
| 1010810 | CIF | Cd N6 | P b c a | 7.82; 6.46; 16.04 90; 90; 90 | 810.3 | Bassiere, M Sur la structure de l'azoture de cadmium. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965), 1937, 204, 1573-1574 |
| 9004031 | CIF | Ca0.07 Mg1.93 O6 Si2 | P b c a | 18.093; 8.75; 5.127 90; 90; 90 | 811.675 | Nestola, F.; Gatta, G. D.; Ballaran, T. B. The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 3.36 GPa American Mineralogist, 2006, 91, 809-815 |
| 9016153 | CIF | Mg O3 Si | P b c a | 18.105; 8.734; 5.1376 90; 90; 90 | 812.404 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 2.69(5) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9006439 | CIF | Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 | P b c a | 18.115; 8.7184; 5.1472 90; 90; 90 | 812.917 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 3.00 GPa, natural orthopyroxene Physics and Chemistry of Minerals, 1997, 24, 301-310 |
| 7232565 | CIF | C3 Ag N O4 | P b c a | 7.6945; 6.9868; 15.1284 90; 90; 90 | 813.3 | Milašinović, Valentina; Molčanov, Krešimir Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks CrystEngComm, 2019, 21, 2962 |
| 7051247 | CIF | C10 H8 O2 | P b c a | 8.8316; 5.9003; 15.6123 90; 90; 90 | 813.54 | Laxmi Madhavi, N. N.; Bilton, Clair; Howard, Judith A. K.; Allen, Frank H.; Nangia, Ashwini; Desiraju, Gautam R. Seeking structural repetitivity in systems with interaction interference: crystal engineering in the gem-alkynol family New Journal of Chemistry, 2000, 24, 1 |
| 1537588 | CIF | C2 N2 Se | P b c a | 8.71; 6.98; 13.41 90; 90; 90 | 815.272 | Linke, K.H.; Lemmer, F. Roentgenographische Kristallstrukturanalyse von Selenidcyanid Zeitschrift fuer Anorganische und Allgemeine Chemie, 1966, 345, 211-216 |
| 9006432 | CIF | Fe0.41 Mg0.59 O3 Si | P b c a | 18.124; 8.754; 5.144 90; 90; 90 | 816.134 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.76 GPa, synthetic En60 orthopyroxene Physics and Chemistry of Minerals, 1997, 24, 301-310 |
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