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 |
9001595 | CIF | Mg O3 Si | P b c a | 18.148; 8.756; 5.1493 90; 90; 90 | 818.244 | Hugh-Jones D A; Angel, R. J. A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 1.95 GPa American Mineralogist, 1994, 79, 405-410 |
9006431 | CIF | Fe0.41 Mg0.59 O3 Si | P b c a | 18.1418; 8.7682; 5.1495 90; 90; 90 | 819.136 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.14 GPa, synthetic En60 orthopyroxene Physics and Chemistry of Minerals, 1997, 24, 301-310 |
9006438 | CIF | Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 | P b c a | 18.16; 8.7503; 5.1606 90; 90; 90 | 820.047 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.90 GPa, natural orthopyroxene Physics and Chemistry of Minerals, 1997, 24, 301-310 |
9010428 | CIF | Al0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848 | P b c a | 18.1427; 8.746; 5.1716 90; 90; 90 | 820.609 | 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 = 3.947 GPa American Mineralogist, 2008, 93, 644-652 |
8104472 | CIF | Cu K O4 P | P b c a | 17.94; 6.742; 6.795 90; 90; 90 | 821.865 | Effenberger, H. Synthese und Kristallstruktur des rhombischen Kalium-kupfer(II)-phosphates K Cu P O4 Zeitschrift fuer Kristallographie (149,1979-), 1984, 168, 113-119 |
9014860 | CIF | Mg O3 Si | P b c a | 18.158; 8.78; 5.1574 90; 90; 90 | 822.23 | 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 = 1.23(4) GPa American Mineralogist, 2012, 97, 1741-1748 |
9004030 | CIF | Ca0.07 Mg1.93 O6 Si2 | P b c a | 18.201; 8.768; 5.154 90; 90; 90 | 822.508 | Nestola, F.; Gatta, G. D.; Ballaran, T. B. The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 1.76 GPa American Mineralogist, 2006, 91, 809-815 |
8104492 | CIF | H6 N2 O3 S | P b c a | 7.443; 7.739; 14.281 90; 90; 90 | 822.605 | Cain, B. E.; Kanda, F. A. The crystal structure of ammonium sulfamate Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1972, 135, 253-261 |
9010241 | CIF | Al0.23 Mg0.874 O3 Si0.875 | P b c a | 18.1876; 8.7352; 5.1789 90; 90; 90 | 822.784 | Smyth, J. R.; Mierdel, K.; Keppler, H.; Langenhorst, F.; Dubrovinsky, L.; Nestola, F. Crystal chemistry of hydration in aluminous orthopyroxene American Mineralogist, 2007, 92, 973-976 |
9001594 | CIF | Mg O3 Si | P b c a | 18.186; 8.782; 5.161 90; 90; 90 | 824.26 | Hugh-Jones D A; Angel, R. J. A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 1.04 GPa American Mineralogist, 1994, 79, 405-410 |
2017782 | CIF Paper | C H6 N O3 P | P b c a | 8.977; 9.186; 10.003 90; 90; 90 | 824.9 | Janicki, Rafał; Starynowicz, Przemysław Charge density distribution in aminomethylphosphonic acid Acta Crystallographica Section B, 2010, 66, 559-567 |
2022057 | CIF | C H6 N O3 P | P b c a | 8.977; 9.186; 10.003 90; 90; 90 | 824.9 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
9006430 | CIF | Fe0.41 Mg0.59 O3 Si | P b c a | 18.174; 8.7953; 5.1608 90; 90; 90 | 824.932 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 3.17 GPa, synthetic En60 orthopyroxene Physics and Chemistry of Minerals, 1997, 24, 301-310 |
1537231 | CIF | Al0.088 Mg0.956 O3 Si0.956 | P b c a | 18.1991; 8.78; 5.1666 90; 90; 90 | 825.561 | Ganguly, J.; Ghose, S. Aluminous orthopyroxene: Order-disorder, thermodynamic properties, and petrologic implications Contributions to Mineralogy and Petrology (23,1969-), 1979, 69, 375-385 |
9006437 | CIF | Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 | P b c a | 18.189; 8.7765; 5.1723 90; 90; 90 | 825.684 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.04 GPa, natural orthopyroxene Physics and Chemistry of Minerals, 1997, 24, 301-310 |
7226439 | CIF | C4 H4 N8 O4 | P b c a | 9.082; 5.4849; 16.575 90; 90; 90 | 825.7 | Li, Yanan; Shu, Yuan-jie; Wang, Bozhou; Zhang, Shengyong; Zhai, Lian-jie Synthesis, structure and properties of neutral energetic materials based on N-functionalization of 3,6-dinitropyrazolo[4,3-c]pyrazole RSC Adv., 2016 |
4074951 | CIF | C2 H5 Cl Zn | P b c a | 6.3802; 5.9324; 21.8428 90; 90; 90 | 826.75 | Guerrero, Antonio; Hughes, David L.; Bochmann, Manfred Synthesis and Crystal Structure of Ethyl Zinc Chloride Organometallics, 2006, 25, 1525-1527 |
9004098 | CIF | C Ca O5 Te | P b c a | 6.988; 11.201; 10.566 90; 90; 90 | 827.028 | Fischer, R.; Pertlik, F.; Zemann, J. The crystal structure of mroseite, CaTeO2(CO3) The Canadian Mineralogist, 1975, 13, 383-387 |
7219427 | CIF | C3 H7 N O2 | P b c a | 9.8829; 13.787; 6.0816 90; 90; 90 | 828.7 | Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V. β-Alanine under pressure: towards understanding the nature of phase transitions CrystEngComm, 2015, 17, 2074 |
9015809 | CIF | Mg O3 Si | P b c a | 18.204; 8.81; 5.1731 90; 90; 90 | 829.648 | 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 = 0.22(3) GPa American Mineralogist, 2012, 97, 1741-1748 |
9006429 | CIF | Fe0.41 Mg0.59 O3 Si | P b c a | 18.197; 8.82; 5.171 90; 90; 90 | 829.933 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 2.50 GPa, synthetic En60 orthopyroxene Physics and Chemistry of Minerals, 1997, 24, 301-310 |
2217418 | CIF HKL Paper | C3 H3 Ag N2 | P b c a | 6.4084; 6.4989; 19.948 90; 90; 90 | 830.8 | Zhang, Chao-Yan; Feng, Jian-Bo; Gao, Qian; Xie, Ya-Bo <i>catena</i>-Poly[silver(I)-μ-pyrazolato-κ^2^<i>N</i>:<i>N</i>'] Acta Crystallographica Section E, 2008, 64, m352-m352 |
9008164 | CIF | Mg O3 Si | P b c a | 18.21; 8.812; 5.178 90; 90; 90 | 830.896 | Morimoto, N.; Koto, K. The crystal structure of orthoenstatite Zeitschrift fur Kristallographie, 1969, 129, 65-83 |
1537228 | CIF | Al0.06 Fe0.096 Mg0.854 O3 Si0.97 | P b c a | 18.2248; 8.7822; 5.1927 90; 90; 90 | 831.112 | Ganguly, J.; Ghose, S. Aluminous orthopyroxene: Order-disorder, thermodynamic properties, and petrologic implications Contributions to Mineralogy and Petrology (23,1969-), 1979, 69, 375-385 |
9004117 | CIF | Mg O3 Si | P b c a | 18.216; 8.813; 5.179 90; 90; 90 | 831.424 | Hawthorne, F. C.; Ito, J. Synthesis and crystal-structure refinement of transition-metal orthopyroxenes I: Orthoenstatite and (Mg, Mn, Co) orthopyroxene The Canadian Mineralogist, 1977, 15, 321-338 |
9014117 | CIF | Mg O3 Si | P b c a | 18.21; 8.82; 5.1767 90; 90; 90 | 831.441 | 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 = 0.00010(1) GPa American Mineralogist, 2012, 97, 1741-1748 |
8100176 | CIF | C4 H3 F2 N | P b c a | 5.5515; 11.017; 13.597 90; 90; 90 | 831.6 | Leroy, Jacques; Bondon, Arnaud; Toupet, Loic; Meerschaut, Alain Crystal structure of 3,4-difluoro-1H-pyrrole, C~4~H~3~F~2~N Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 389-390 |
9005776 | CIF | Mg O3 Si | P b c a | 18.225; 8.8128; 5.18 90; 90; 90 | 831.977 | Ohashi, Y. Polysynthetically-twinned structures of enstatite and wollastonite Sample: OREN Physics and Chemistry of Minerals, 1984, 10, 217-229 |
1566757 | CIF HKL | Al0.067 Fe0.067 Mg1.94 O6 Si1.93 | P b c a | 5.1815; 18.2321; 8.8085 90; 90; 90 | 832.14 | Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P. Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII Journal of Synchrotron Radiation, 2022, 29, 654-663 |
2311071 | CIF | Mg O3 Si | P b c a | 18.227; 8.819; 5.179 90; 90; 90 | 832.493 | Sasaki, S.; Fujino, K.; Takeuchi, Y.; Sadanaga, R. On the estimation of atomic charges by the X-ray method for some oxides and silicates Acta Crystallographica A (24,1968-38,1982), 1980, 36, 904-915 |
9001593 | CIF | Mg O3 Si | P b c a | 18.233; 8.8191; 5.1802 90; 90; 90 | 832.969 | Hugh-Jones D A; Angel, R. J. A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 0 GPa American Mineralogist, 1994, 79, 405-410 |
9003429 | CIF | Mg O3 Si | P b c a | 18.363; 8.864; 5.118 90; 90; 90 | 833.055 | Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite after Hugh-Jones and Angel (1994) with O3A-O3A-O3A angle = 158.7, O3B-O3B-O3B angle = 139.0, and model oxygen radius = 1.302 American Mineralogist, 2004, 89, 614-628 |
9006436 | CIF | Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 | P b c a | 18.231; 8.8095; 5.1873 90; 90; 90 | 833.111 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 0.00 GPa, natural orthopyroxene Physics and Chemistry of Minerals, 1997, 24, 301-310 |
2106240 | CIF | Ca Cr H2 O5 | P b c a | 8.014; 8.147; 12.761 90; 90; 90 | 833.166 | Bars, O.; le Marouille, J.Y.; Grandjean, D. Etude de chromates, molybdates et tungstates hydrates. II. Etude structurale de Ca Cr O4 (H2 O) Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3751-3755 |
1011018 | CIF | Fe0.155 Mg0.845 O3 Si | P b c a | 18.15999; 8.84; 5.19 90; 90; 90 | 833.2 | Takané, Katsutashi Crystal Structure of Bronzite from Chichi-jiama in the Bonin Islands Proceedings of the Imperial Academy (Tokyo), 1932, 8, 308-311 |
8103871 | CIF | Ag B F4 H2 O | P b c a | 7.966; 7.794; 13.42 90; 90; 90 | 833.208 | Ludwig, W.; Wartchow, R. Crystal structure of silver tetrafluoroborate monohydrate, Ag (B F4) (H2 O) Zeitschrift fuer Kristallographie (149,1979-), 1996, 211, 631-631 |
1000047 | CIF | Mg2 O6 Si2 | P b c a | 18.25099; 8.814; 5.181 90; 90; 90 | 833.4 | Yang, H X; Ghose, S High temperature single crystal X-ray diffraction studies of the ortho- proto phase transition in enstatite, Mg2 Si2 O6 at 1360 K Physics and Chemistry of Minerals (Germany), 1995, 22, 300-310 |
9006337 | CIF | Mg O3 Si | P b c a | 18.251; 8.814; 5.181 90; 90; 90 | 833.438 | Yang, H.; Ghose, S. High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 296 K Physics and Chemistry of Minerals, 1995, 22, 300-310 |
9003427 | CIF | Mg O3 Si | P b c a | 18.363; 8.867; 5.119 90; 90; 90 | 833.5 | Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite after Yang and Ghose (1995) with O3A-O3A-O3A angle = 158.9, O3B-O3B-O3B angle = 139.3, and model oxygen radius = 1.302 American Mineralogist, 2004, 89, 614-628 |
9010427 | CIF | Al0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848 | P b c a | 18.2192; 8.8111; 5.1965 90; 90; 90 | 834.2 | 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 = 1.715 GPa American Mineralogist, 2008, 93, 644-652 |
2012690 | CIF Paper | Ga Na O2 | P b c a | 5.3145; 10.6234; 14.7782 90; 90; 90 | 834.35 | Villafuerte-Castrejón, María-Elena; Bucio, Lauro; Sánchez-Arjona, Angel; Duque, Julio; Pomés, Ramón γ-Sodium gallate: a Rietveld refinement using X-ray powder diffraction Acta Crystallographica Section C, 2002, 58, i69-i70 |
9001209 | CIF | Fe0.105 Mg0.895 O3 Si | P b c a | 18.244; 8.805; 5.196 90; 90; 90 | 834.677 | Molin, G. M. Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1050 C, 3 min American Mineralogist, 1989, 74, 593-598 |
9001211 | CIF | Fe0.105 Mg0.895 O3 Si | P b c a | 18.244; 8.805; 5.196 90; 90; 90 | 834.677 | Molin, G. M. Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1050 C, 90 min American Mineralogist, 1989, 74, 593-598 |
9010887 | CIF | Al0.03 Fe0.15 Mg1.82 O6 Si1.97 | P b c a | 18.2429; 8.8171; 5.1894 90; 90; 90 | 834.712 | Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G. High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 20 C Physics and Chemistry of Minerals, 2007, 34, 185-200 |
9001213 | CIF | Fe0.106 Mg0.893 O3 Si | P b c a | 18.242; 8.803; 5.198 90; 90; 90 | 834.717 | Molin, G. M. Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1150 C, 10 min American Mineralogist, 1989, 74, 593-598 |
1537585 | CIF | Mg O3 Si | P b c a | 18.211; 8.81; 5.203 90; 90; 90 | 834.764 | Lindemann, W. Beitrag zur Enstatitstruktur (Verfeinerung der Parameterwerte ) Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1961, 1961, 226-233 |
9001208 | CIF | Fe0.106 Mg0.894 O3 Si | P b c a | 18.241; 8.804; 5.198 90; 90; 90 | 834.766 | Molin, G. M. Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, natural American Mineralogist, 1989, 74, 593-598 |
8104087 | CIF | Cd H3 N O5 | P b c a | 13.864; 8.708; 6.917 90; 90; 90 | 835.074 | Padeste, C.; Schmalle, H.W.; Oswald, H.R. Crystal structure of calcium hydroxide nitrate hydrate and its superstructure in relation to cadmium hydroxide nitrate hydrate Zeitschrift fuer Kristallographie (149,1979-), 1992, 200, 35-46 |
9001210 | CIF | Fe0.108 Mg0.893 O3 Si | P b c a | 18.243; 8.808; 5.197 90; 90; 90 | 835.077 | Molin, G. M. Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1050 C, 10 min American Mineralogist, 1989, 74, 593-598 |
1000505 | CIF | Ga H4 O6 P | P b c a | 9.926; 8.6189; 9.7622 90; 90; 90 | 835.2 | Loiseau, T; Paulet, C; Ferey, G Crystal structure determination of the hydrated gallium phosphate Ga P O4 . 2(H2 O), analog of variscite C. R. Acad. Sci. Paris, T. 1, Serie II, 1998, 1, 667-674 |
1514103 | CIF | Mn2 O3 | P b c a | 9.4118; 9.4177; 9.4233 90; 90; 90 | 835.26 | Norrestam, R. Alpha-manganese(III) oxide - a C-type sesquioxide of orthorhombic symmetry Acta Chemica Scandinavica (1-27,1973-42,1988), 1967, 21, 2871-2884 |
9001212 | CIF | Fe0.106 Mg0.893 O3 Si | P b c a | 18.246; 8.809; 5.197 90; 90; 90 | 835.309 | Molin, G. M. Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1150 C, 2 min American Mineralogist, 1989, 74, 593-598 |
9010871 | CIF | Fe0.47 Li0.2 Mg1.33 O6 Si2 | P b c a | 18.2113; 8.8172; 5.205 90; 90; 90 | 835.781 | Camara, F.; Iezzi, G.; Tiepolo, M.; Oberti, R. The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene Sample: LMFPX3 Physics and Chemistry of Minerals, 2006, 33, 475-483 |
2106329 | CIF | Co0.224 Mg0.776 O3 Si | P b c a | 18.233; 8.836; 5.188 90; 90; 90 | 835.822 | Hawthorne, F.C.; Ito, J. Refinement of the crystal structures of (Mg0.776 Co0.224) Si O3 and (Mg0.925 Mn0.075) Si O3 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 891-893 |
9001214 | CIF | Fe0.085 Mg0.915 O3 Si | P b c a | 18.246; 8.828; 5.189 90; 90; 90 | 835.822 | Molin, G. M. Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, natural American Mineralogist, 1989, 74, 593-598 |
9004029 | CIF | Ca0.07 Mg1.93 O6 Si2 | P b c a | 18.2588; 8.8229; 5.1899 90; 90; 90 | 836.07 | Nestola, F.; Gatta, G. D.; Ballaran, T. B. The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 0.0001 GPa American Mineralogist, 2006, 91, 809-815 |
9001217 | CIF | Fe0.086 Mg0.914 O3 Si | P b c a | 18.248; 8.831; 5.189 90; 90; 90 | 836.197 | Molin, G. M. Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1050 C, 90 min American Mineralogist, 1989, 74, 593-598 |
9010873 | CIF | Fe0.47 Li0.2 Mg1.33 O6 Si2 | P b c a | 18.2162; 8.8194; 5.2054 90; 90; 90 | 836.279 | Camara, F.; Iezzi, G.; Tiepolo, M.; Oberti, R. The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene Sample: LMFPX5 Physics and Chemistry of Minerals, 2006, 33, 475-483 |
9001215 | CIF | Fe0.084 Mg0.916 O3 Si | P b c a | 18.25; 8.83; 5.19 90; 90; 90 | 836.356 | Molin, G. M. Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1050 C, 3 min American Mineralogist, 1989, 74, 593-598 |
9001219 | CIF | Fe0.086 Mg0.914 O3 Si | P b c a | 18.243; 8.834; 5.19 90; 90; 90 | 836.413 | Molin, G. M. Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1150 C, 10 min American Mineralogist, 1989, 74, 593-598 |
9001216 | CIF | Fe0.086 Mg0.914 O3 Si | P b c a | 18.25; 8.829; 5.191 90; 90; 90 | 836.422 | Molin, G. M. Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1050 C, 10 min American Mineralogist, 1989, 74, 593-598 |
9006428 | CIF | Fe0.41 Mg0.59 O3 Si | P b c a | 18.2351; 8.8492; 5.1839 90; 90; 90 | 836.505 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.54 GPa, synthetic En60 orthopyroxene Physics and Chemistry of Minerals, 1997, 24, 301-310 |
9010898 | CIF | Al0.03 Fe0.15 Mg1.82 O6 Si1.97 | P b c a | 18.2513; 8.8274; 5.1929 90; 90; 90 | 836.636 | Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G. High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 150 C Physics and Chemistry of Minerals, 2007, 34, 185-200 |
9001218 | CIF | Fe0.087 Mg0.913 O3 Si | P b c a | 18.248; 8.832; 5.192 90; 90; 90 | 836.776 | Molin, G. M. Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1150 C, 2 min American Mineralogist, 1989, 74, 593-598 |
9005588 | CIF | Ca0.04 Mg1.96 O6 Si2 | P b c a | 18.262; 8.826; 5.192 90; 90; 90 | 836.849 | Nestola, F.; Tribaudino, M. The structure of Pbca orthopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) Sample: D4En96 European Journal of Mineralogy, 2003, 15, 365-371 |
1526735 | CIF | Al0.196 Ca0.069 Fe0.409 Mg1.49 O6 Si1.85 | P b c a | 18.276; 8.819; 5.196 90; 90; 90 | 837.471 | Takeda, H. Crystallographic Studies of Coexisting Aluminan Orthopyroxene and Augite of High-Pressure Origin Journal of Geophysical Research, 1972, 77, 5798-5811 |
9004118 | CIF | Co0.132 Mg0.781 Mn0.087 O3 Si | P b c a | 18.246; 8.839; 5.196 90; 90; 90 | 837.992 | Hawthorne, F. C.; Ito, J. Synthesis and crystal-structure refinement of transition-metal orthopyroxenes I: Orthoenstatite and (Mg, Mn, Co) orthopyroxene The Canadian Mineralogist, 1977, 15, 321-338 |
9010872 | CIF | Fe0.47 Li0.2 Mg1.33 O6 Si2 | P b c a | 18.2369; 8.8246; 5.2076 90; 90; 90 | 838.077 | Camara, F.; Iezzi, G.; Tiepolo, M.; Oberti, R. The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene Sample: LMFPX4 Physics and Chemistry of Minerals, 2006, 33, 475-483 |
2106330 | CIF | Mg0.925 Mn0.075 O3 Si | P b c a | 18.27; 8.833; 5.195 90; 90; 90 | 838.363 | Hawthorne, F.C.; Ito, J. Refinement of the crystal structures of (Mg0.776 Co0.224) Si O3 and (Mg0.925 Mn0.075) Si O3 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 891-893 |
1011238 | CIF | Fe0.3 Mg0.7 O3 Si | P b c a | 18.2; 8.86; 5.2 90; 90; 90 | 838.5 | Warren, B E; Modell, D I The Structure of Enstatite, Mg Si O3 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1930, 75, 1-14 |
9005589 | CIF | Ca0.07 Mg1.93 O6 Si2 | P b c a | 18.268; 8.836; 5.196 90; 90; 90 | 838.718 | Nestola, F.; Tribaudino, M. The structure of Pbca orthopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) Sample: D7E93 European Journal of Mineralogy, 2003, 15, 365-371 |
9001178 | CIF | Ca0.052 Mg1.948 O6 Si2 | P b c a | 18.28; 8.834; 5.197 90; 90; 90 | 839.24 | Carlson, W. D.; Swinnea, J. S.; Miser, D. E. Stability of orthoenstatite at high temperature and low pressure American Mineralogist, 1988, 73, 1255-1263 |
8101551 | CIF | H2 N O3 Rb S | P b c a | 7.427; 7.781; 14.523 90; 90; 90 | 839.3 | Schreuer, Jürgen Crystal structure of rubidium sulfamate, RbH~2~NSO~3~ Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 305-305 |
4321475 | CIF | C H3 F2 I O2 | P b c a | 7.605; 7.36; 15.017 90; 90; 90 | 840.54 | Rolf Minkwitz; Michael Berkei; Marc Studentkowski; Ralf Ludwig Crystal Structure of (Difluoro)methoxyoxo Iodine(V) IF2(O)OCH3 Inorganic Chemistry, 2000, 39, 4766-4768 |
9001641 | CIF | Fe0.249 Mg0.751 O3 Si | P b c a | 18.2747; 8.8729; 5.1988 90; 90; 90 | 842.983 | Yang, H.; Ghose, S. A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 296 K American Mineralogist, 1995, 80, 9-20 |
9016942 | CIF | Fe0.292 Mg0.709 O3 Si | P b c a | 18.281; 8.8732; 5.207 90; 90; 90 | 844.633 | Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F. Ordering state in orthopyroxene as determined by precession electron diffraction American Mineralogist, 2013, 98, 1526-1534 |
9016944 | CIF | Fe0.292 Mg0.709 O3 Si | P b c a | 18.281; 8.8732; 5.207 90; 90; 90 | 844.633 | Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F. Ordering state in orthopyroxene as determined by precession electron diffraction American Mineralogist, 2013, 98, 1526-1534 |
9010426 | CIF | Al0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848 | P b c a | 18.2804; 8.8601; 5.2161 90; 90; 90 | 844.832 | 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 = 0.163 GPa American Mineralogist, 2008, 93, 644-652 |
2106567 | CIF | Mg O6 Si2 Zn | P b c a | 18.201; 8.916; 5.209 90; 90; 90 | 845.317 | Morimoto, N.; Nakajima, Y.; Syono, Y.; Akimoto, S.; Matsui, Y. Crystal structures of pyroxene-type Zn Si O3 and Zn Mg Si2 O6 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1041-1049 |
9010424 | CIF | Al0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848 | P b c a | 18.2889; 8.8662; 5.2175 90; 90; 90 | 846.034 | 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 = 0 GPa, in air American Mineralogist, 2008, 93, 644-652 |
9010425 | CIF | Al0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848 | P b c a | 18.2889; 8.8662; 5.2175 90; 90; 90 | 846.034 | 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 = 0 GPa, in air, same # of reflections as DAC crystal American Mineralogist, 2008, 93, 644-652 |
9006447 | CIF | Cu0.564 Mg1.436 O6 Si2 | P b c a | 18.221; 8.89; 5.226 90; 90; 90 | 846.532 | Tachi, T.; Horiuchi, H.; Nagasawa, H. Structure of Cu-bearing orthopyroxene, Mg(Cu.56,Mg.44)Si2O6, and behavior of Cu2+ in the orthopyroxene structure Physics and Chemistry of Minerals, 1997, 24, 463-476 |
9016943 | CIF | Fe0.296 Mg0.704 O3 Si | P b c a | 18.3022; 8.8816; 5.2082 90; 90; 90 | 846.608 | Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F. Ordering state in orthopyroxene as determined by precession electron diffraction American Mineralogist, 2013, 98, 1526-1534 |
9016945 | CIF | Fe0.296 Mg0.704 O3 Si | P b c a | 18.3022; 8.8816; 5.2082 90; 90; 90 | 846.608 | Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F. Ordering state in orthopyroxene as determined by precession electron diffraction American Mineralogist, 2013, 98, 1526-1534 |
9006426 | CIF | Fe O3 Si | P b c a | 18.311; 8.939; 5.181 90; 90; 90 | 848.037 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 3.65 GPa Physics and Chemistry of Minerals, 1997, 24, 301-310 |
9006427 | CIF | Fe0.41 Mg0.59 O3 Si | P b c a | 18.2974; 8.904; 5.2092 90; 90; 90 | 848.683 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 0.00 GPa, synthetic En60 orthopyroxene Physics and Chemistry of Minerals, 1997, 24, 301-310 |
8103718 | CIF | Co O3 Si | P b c a | 18.296; 8.923; 5.204 90; 90; 90 | 849.58 | Sasaki, S.; Takeuchi, Y.; Fujino, K.; Akimoto, S. Electron-density distributions of three orthopyroxenes, Mg2 Si2 O6, Co2 Si2 O6, and Fe2 Si2 O6 Zeitschrift fuer Kristallographie (149,1979-), 1982, 158, 279-297 |
4118521 | CIF | C3 H4 N2 S | P b c a | 9.5549; 5.8171; 15.2998 90; 90; 90 | 850.39 | Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W. Multicomponent Assembly of Proposed DNA Precursors in Water Journal of the American Chemical Society, 2012, 134, 13889-13895 |
9006338 | CIF | Mg O3 Si | P b c a | 18.341; 8.889; 5.219 90; 90; 90 | 850.87 | Yang, H.; Ghose, S. High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 900 K Physics and Chemistry of Minerals, 1995, 22, 300-310 |
9003579 | CIF | Al0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002 | P b c a | 18.3559; 8.8741; 5.2256 90; 90; 90 | 851.209 | Stimpfl, M. The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 806 deg C ORD American Mineralogist, 2005, 90, 155-161 |
9001699 | CIF | Ca0.043 Fe0.807 Mg1.15 O6 Si2 | P b c a | 18.316; 8.907; 5.218 90; 90; 90 | 851.268 | Domeneghetti, M. C.; Molin, G. M.; Stimpfl, M.; Tribaudino, M. Orthopyroxene from the Serra de Mage meteorite: Structure refinement and estimation of C2/c pyroxene contributions to apparent Pbca diffraction violations Sample: OPX SDM N.13, natural American Mineralogist, 1995, 80, 923-929 |
9001749 | CIF | Al0.028 Ca0.036 Cr0.004 Fe0.795 Mg1.134 Mn0.026 O6 Si1.986 Ti0.005 | P b c a | 18.316; 8.907; 5.218 90; 90; 90 | 851.268 | Domeneghetti, M. C.; Tazzoli, V.; Ballaran, T. B.; Molin, G. M. Orthopyroxene from the Serra de Mage meteorite: A structure-refinement procedure for a Pbca phase coexisting with a C2/c exsolved phase Sample Opx SDM N.13, natural American Mineralogist, 1996, 81, 842-846 |
9001577 | CIF | Fe0.44 Mg0.56 O3 Si | P b c a | 18.312; 8.917; 5.217 90; 90; 90 | 851.874 | Hazen, R. M.; Finger, L. W.; Ko, J. Effects of pressure on Mg-Fe ordering in orthopyroxene synthesized at 11.3 GPa and 1600 C American Mineralogist, 1993, 78, 1336-1339 |
9003574 | CIF | Al0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002 | P b c a | 18.3668; 8.8725; 5.2289 90; 90; 90 | 852.099 | Stimpfl, M. The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: untreated American Mineralogist, 2005, 90, 155-161 |
9001700 | CIF | Ca0.043 Fe0.802 Mg1.155 O6 Si2 | P b c a | 18.32; 8.917; 5.219 90; 90; 90 | 852.573 | Domeneghetti, M. C.; Molin, G. M.; Stimpfl, M.; Tribaudino, M. Orthopyroxene from the Serra de Mage meteorite: Structure refinement and estimation of C2/c pyroxene contributions to apparent Pbca diffraction violations Sample: OPX SDM N.7, heated American Mineralogist, 1995, 80, 923-929 |
9001750 | CIF | Al0.028 Ca0.036 Cr0.004 Fe0.801 Mg1.128 Mn0.026 O6 Si1.986 Ti0.005 | P b c a | 18.32; 8.917; 5.219 90; 90; 90 | 852.573 | Domeneghetti, M. C.; Tazzoli, V.; Ballaran, T. B.; Molin, G. M. Orthopyroxene from the Serra de Mage meteorite: A structure-refinement procedure for a Pbca phase coexisting with a C2/c exsolved phase Sample Opx SDM N.7, heated American Mineralogist, 1996, 81, 842-846 |
9003578 | CIF | Al0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002 | P b c a | 18.3645; 8.881; 5.2284 90; 90; 90 | 852.727 | Stimpfl, M. The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 856 deg C ORD American Mineralogist, 2005, 90, 155-161 |
9000918 | CIF | Mg1.47 Mn0.53 O6 Si2 | P b c a | 18.384; 8.878; 5.226 90; 90; 90 | 852.952 | Petersen, E. U.; Anovitz, L. M.; Essene, E. J. Donpeacorite, (Mn,Mg)MgSi2O6, a new orthopyroxene and its proposed phase relations in the system MnSiO3-MgSiO3-FeSiO3 American Mineralogist, 1984, 69, 472-480 |
9003576 | CIF | Al0.003 Ca0.024 Mg1.433 Mn0.542 O6 Si1.997 Ti0.002 | P b c a | 18.3686; 8.8828; 5.2287 90; 90; 90 | 853.139 | Stimpfl, M. The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 900 deg C DIS American Mineralogist, 2005, 90, 155-161 |
9003575 | CIF | Al0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002 | P b c a | 18.3653; 8.8819; 5.2305 90; 90; 90 | 853.193 | Stimpfl, M. The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 980 deg C DIS American Mineralogist, 2005, 90, 155-161 |
9006425 | CIF | Fe O3 Si | P b c a | 18.341; 8.966; 5.1925 90; 90; 90 | 853.883 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 2.84 GPa Physics and Chemistry of Minerals, 1997, 24, 301-310 |
9003577 | CIF | Al0.003 Ca0.024 Mg1.433 Mn0.509 O6 Si1.997 Ti0.002 | P b c a | 18.3718; 8.8836; 5.2334 90; 90; 90 | 854.131 | Stimpfl, M. The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 904 deg C ORD American Mineralogist, 2005, 90, 155-161 |
8104213 | CIF | Fe1.07 Mg0.93 O6 Si2 | P b c a | 18.31; 8.927; 5.226 90; 90; 90 | 854.207 | Ghose, S. Mg2+ - Fe2+ order in an orthopyroxene, Mg.93 Fe1.07 Si2 O6 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1965, 122, 81-99 |
9010154 | CIF | Li0.52 Mg0.96 O6 Sc0.52 Si2 | P b c a | 18.259; 8.883; 5.271 90; 90; 90 | 854.928 | Yang, H.; Downs, R. T. Synthesis and crystal structure of Li0.52Mg0.96Sc0.52Si2O6 orthopyroxene American Mineralogist, 2007, 92, 225-228 |
1539449 | CIF | Ca0.016 Fe0.666 Mg0.318 O3 Si | P b c a | 18.337; 8.971; 5.232 90; 90; 90 | 860.67 | Smyth, J.R. An orthopyroxene structure up to 850 degrees C American Mineralogist, 1973, 58, 636-648 |
9000353 | CIF | Ca0.032 Fe1.331 Mg0.636 O6 Si2 | P b c a | 18.337; 8.971; 5.232 90; 90; 90 | 860.67 | Smyth, J. R. An orthopyroxene structure up to 850 C T = 20 C American Mineralogist, 1973, 58, 636-648 |
9006424 | CIF | Fe O3 Si | P b c a | 18.37; 9.006; 5.2084 90; 90; 90 | 861.679 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.71 GPa Physics and Chemistry of Minerals, 1997, 24, 301-310 |
7240299 | CIF | C3 H4 Cu N2 O | P b c a | 18.7113; 6.72929; 6.84365 90; 90; 90 | 861.71 | Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers CrystEngComm, 2020 |
8104072 | CIF | Ag Cl H2 O5 | P b c a | 8.122; 7.829; 13.56 90; 90; 90 | 862.242 | Wartchow, R.; Ludwig, W. Crystal structure of silver perchlorate monohydrate, Ag (Cl O4) (H2 O) Zeitschrift fuer Kristallographie (149,1979-), 1995, 210, 879-879 |
9006339 | CIF | Mg O3 Si | P b c a | 18.413; 8.929; 5.246 90; 90; 90 | 862.493 | Yang, H.; Ghose, S. High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1200 K Physics and Chemistry of Minerals, 1995, 22, 300-310 |
9010897 | CIF | Al0.03 Fe0.15 Mg1.82 O6 Si1.97 | P b c a | 18.3995; 8.9329; 5.2519 90; 90; 90 | 863.207 | Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G. High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 975 C Physics and Chemistry of Minerals, 2007, 34, 185-200 |
1539448 | CIF | Ba H4 O6 | P b c a | 16.837; 6.407; 8.005 90; 90; 90 | 863.537 | Vannerberg, N.G. On the system Ba O2 - H2 O - H2 O2 3. The crystal structure of alpha-, beta-, and gamma-Ba O2 (H2 O2)2 and Ba O2 H2 O2 (H2 O)2 Arkiv foer Kemi, 1959, 14, 125-145 |
9001642 | CIF | Fe0.249 Mg0.751 O3 Si | P b c a | 18.3878; 8.9577; 5.2441 90; 90; 90 | 863.768 | Yang, H.; Ghose, S. A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 1000 K American Mineralogist, 1995, 80, 9-20 |
9010896 | CIF | Al0.03 Fe0.15 Mg1.82 O6 Si1.97 | P b c a | 18.4047; 8.9366; 5.2543 90; 90; 90 | 864.203 | Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G. High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,000 C Physics and Chemistry of Minerals, 2007, 34, 185-200 |
9000354 | CIF | Ca0.032 Fe1.332 Mg0.635 O6 Si2 | P b c a | 18.364; 8.988; 5.238 90; 90; 90 | 864.561 | Smyth, J. R. An orthopyroxene structure up to 850 C T = 175 C note temperature factors for O1b appear incorrect American Mineralogist, 1973, 58, 636-648 |
9010895 | CIF | Al0.03 Fe0.15 Mg1.82 O6 Si1.97 | P b c a | 18.4125; 8.9408; 5.2577 90; 90; 90 | 865.536 | Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G. High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,025 C Physics and Chemistry of Minerals, 2007, 34, 185-200 |
9000355 | CIF | Ca0.032 Fe1.331 Mg0.636 O6 Si2 | P b c a | 18.371; 9; 5.242 90; 90; 90 | 866.707 | Smyth, J. R. An orthopyroxene structure up to 850 C T = 280 C American Mineralogist, 1973, 58, 636-648 |
9010894 | CIF | Al0.03 Fe0.15 Mg1.82 O6 Si1.97 | P b c a | 18.4197; 8.9449; 5.2609 90; 90; 90 | 866.798 | Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G. High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,050 C Physics and Chemistry of Minerals, 2007, 34, 185-200 |
4318789 | CIF | Fe H4 O6 P | P b c a | 9.8674; 10.0973; 8.7046 90; 90; 90 | 867.27 | 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 |
7707597 | CIF | B La O5 Te | P b c a | 10.822; 6.9216; 11.5812 90; 90; 90 | 867.5 | Wang, Jiankang; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng LaTeBO<sub>5</sub>: a new borotellurite with a large birefringence activated by the highly distorted [Te<sup>(iv)</sup>O<sub>4</sub>] group. Dalton transactions (Cambridge, England : 2003), 2021, 50, 12404-12407 |
9001643 | CIF | Fe0.249 Mg0.751 O3 Si | P b c a | 18.4105; 8.9691; 5.254 90; 90; 90 | 867.57 | Yang, H.; Ghose, S. A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 1100 K American Mineralogist, 1995, 80, 9-20 |
9010893 | CIF | Al0.03 Fe0.15 Mg1.82 O6 Si1.97 | P b c a | 18.4244; 8.9481; 5.2639 90; 90; 90 | 867.824 | Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G. High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,075 C Physics and Chemistry of Minerals, 2007, 34, 185-200 |
7051152 | CIF | C2 H2 Br N3 | P b c a | 8.2101; 9.9396; 10.6382 90; 90; 90 | 868.13 | Claramunt, Rosa M.; Lopez, Concepcion; Garcia, M. Angeles; Otero, M. Dolores; Torres, M. Rosario; Pinilla, Elena; Alarcon, Sergio H.; AlKorta, Ibon; Elguero, Jose The structure of halogeno-1,2,4-triazoles in the solid state and in solution. New Journal of Chemistry, 2001 |
9011832 | CIF | Ca1.14 Fe0.01 H2 Mn0.84 O5 Si | P b c a | 9.249; 9.076; 10.342 90; 90; 90 | 868.148 | Bonazzi, P.; Bindi, L.; Medenbach, O.; Pagano, R.; Lampronti, G. I.; Menchetti, S. Olmiite, CaMn[SiO3(OH)](OH), the Mn-dominant analogue of poldervaartite, a new mineral species from Kalahari manganese fields (Republic of South Africa) Mineralogical Magazine, 2007, 71, 193-201 |
6000544 | CIF | C Cl3 F | P b c a | 15.5111; 5.8788; 9.5261 90; 90; 90 | 868.65 | Cockcroft, J. K.; Fitch, A. N. Structure of solid trichlorofluoromethane, CFCl3, by powder neutron-diffraction Zeitschrift für Kristallographie, 1994, 209, 488-490 |
2220936 | CIF Paper | Al0.95 As Co0.05 H4 O6 | P b c a | 8.79263; 9.79795; 10.08393 90; 90; 90 | 868.728 | Zoppi, Matteo; Pratesi, Giovanni Rietveld refinement of a natural cobaltian mansfieldite from synchrotron data Acta Crystallographica Section E, 2009, 65, i6-i7 |
9010892 | CIF | Al0.03 Fe0.15 Mg1.82 O6 Si1.97 | P b c a | 18.4314; 8.952; 5.2674 90; 90; 90 | 869.11 | Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G. High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,100 C Physics and Chemistry of Minerals, 2007, 34, 185-200 |
9006423 | CIF | Fe O3 Si | P b c a | 18.3988; 9.0444; 5.2245 90; 90; 90 | 869.389 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = .83 GPa Physics and Chemistry of Minerals, 1997, 24, 301-310 |
9010891 | CIF | Al0.03 Fe0.15 Mg1.82 O6 Si1.97 | P b c a | 18.4378; 8.9555; 5.2711 90; 90; 90 | 870.363 | Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G. High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,125 C Physics and Chemistry of Minerals, 2007, 34, 185-200 |
9000240 | CIF | Ca0.04 Fe1.71 Mg0.25 O6 Si2 | P b c a | 18.405; 9.0338; 5.239 90; 90; 90 | 871.073 | Burnham, C. W.; Ohashi, Y.; Hafner, S. S.; Virgo, D. Cation distribution and atomic thermal vibrations in an iron-rich orthopyroxene American Mineralogist, 1971, 56, 850-876 |
9003428 | CIF | Mg O3 Si | P b c a | 18.535; 9.024; 5.21 90; 90; 90 | 871.424 | Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite at 1360 K after Yang and Ghose (1995) with O3A-O3A-O3A angle = 163.0, O3B-O3B-O3B angle = 149.5, and model oxygen radius = 1.317 American Mineralogist, 2004, 89, 614-628 |
9006340 | CIF | Mg O3 Si | P b c a | 18.456; 8.96; 5.27 90; 90; 90 | 871.478 | Yang, H.; Ghose, S. High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1360 K Physics and Chemistry of Minerals, 1995, 22, 300-310 |
9001644 | CIF | Fe0.249 Mg0.751 O3 Si | P b c a | 18.4317; 8.9822; 5.2647 90; 90; 90 | 871.609 | Yang, H.; Ghose, S. A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 1200 K American Mineralogist, 1995, 80, 9-20 |
9010890 | CIF | Al0.03 Fe0.15 Mg1.82 O6 Si1.97 | P b c a | 18.445; 8.9589; 5.2749 90; 90; 90 | 871.661 | Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G. High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,150 C Physics and Chemistry of Minerals, 2007, 34, 185-200 |
9010007 | CIF | Fe H4 O6 P | P b c a | 8.722; 9.878; 10.1187 90; 90; 90 | 871.786 | Taxer, K.; Bartl, H. On the dimorphy between the variscite and clinovariscite group: refined finestructural relationship of strengite and clinostrengite, Fe(PO4)*2H2O Note: x(O3) corrected to match reported bond lengths Crystal Research and Technology, 2004, 39, 1080-1088 |
9010889 | CIF | Al0.03 Fe0.15 Mg1.82 O6 Si1.97 | P b c a | 18.4517; 8.9612; 5.2797 90; 90; 90 | 872.995 | Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G. High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,175 C Physics and Chemistry of Minerals, 2007, 34, 185-200 |
2106566 | CIF | O3 Si Zn | P b c a | 18.204; 9.087; 5.278 90; 90; 90 | 873.085 | Morimoto, N.; Akimoto, S.; Syono, Y.; Nakajima, Y.; Matsui, Y. Crystal structures of pyroxene-type Zn Si O3 and Zn Mg Si2 O6 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1041-1049 |
1528514 | CIF | Fe0.15 Mg1.82 O6 Si2 | P b c a | 18.4588; 8.9638; 5.2848 90; 90; 90 | 874.428 | Gatta, G.D.; Rinaldi, R.; Knight, K.S.; Molin, G.; Artioli, G. High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in-situ neutron powder diffraction study Physics and Chemistry of Minerals (Germany), 2007, 34, 185-200 |
9010888 | CIF | Al0.03 Fe0.15 Mg1.82 O6 Si1.97 | P b c a | 18.4588; 8.9638; 5.2848 90; 90; 90 | 874.428 | Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G. High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,200 C Physics and Chemistry of Minerals, 2007, 34, 185-200 |
9000356 | CIF | Ca0.032 Fe1.332 Mg0.635 O6 Si2 | P b c a | 18.429; 9.028; 5.26 90; 90; 90 | 875.143 | Smyth, J. R. An orthopyroxene structure up to 850 C T = 500 C American Mineralogist, 1973, 58, 636-648 |
9006422 | CIF | Fe O3 Si | P b c a | 18.417; 9.073; 5.239 90; 90; 90 | 875.423 | Hugh-Jones D A; Chopelas, A.; Angel, R. J. Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 0 GPa Physics and Chemistry of Minerals, 1997, 24, 301-310 |
9000476 | CIF | Fe O3 Si | P b c a | 18.418; 9.078; 5.2366 90; 90; 90 | 875.552 | Sueno, S.; Cameron, M.; Prewitt, C. T. Orthoferrosilite: High-temperature crystal chemistry T = 24 deg C American Mineralogist, 1976, 61, 38-53 |
2011450 | CIF | Al As H4 O6 | P b c a | 8.8218; 9.8252; 10.1163 90; 90; 90 | 876.8 | Harrison, William T. A. Synthetic mansfieldite, AlAsO~4~.2H~2~O Acta Crystallographica, Section C, 2000, 56, e421-e421 |
4309995 | CIF | B Cu0.5 H3 O6 P | P b c a | 13.487; 8.331; 7.827 90; 90; 90 | 879.4 | Hengzhen Shi; Min Li; Hejin Tangbo; Aiguo Kong; Bo Chen; Yongkui Shan A Novel Open-Framework Copper Borophosphate: Cu(H2O)2[B2P2O8(OH)2] Inorganic Chemistry, 2005, 44, 8179-8181 |
4026425 | CIF | C12 H12 | P b c a | 7.3229; 6.0225; 19.985 90; 90; 90 | 881.4 | Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements Journal of Organic Chemistry, 2011, 76, 5170-5176 |
1512657 | CIF | B2 Cd O5 Sr | P b c a | 12.01; 5.795; 12.677 90; 90; 90 | 882.3 | Jian Cao; Junyu Gao; Shilie Pan; Hongwei Yu; Wenwu Zhao; Zhihua Yang Synthesis, crystal structure and properties of a new strontium cadmium diborate Inorganica Chimica Acta, 2012, 392, 459-464 |
9000357 | CIF | Ca0.032 Fe1.332 Mg0.636 O6 Si2 | P b c a | 18.483; 9.053; 5.28 90; 90; 90 | 883.484 | Smyth, J. R. An orthopyroxene structure up to 850 C T = 700 C American Mineralogist, 1973, 58, 636-648 |
9001645 | CIF | Fe0.249 Mg0.751 O3 Si | P b c a | 18.5132; 8.9809; 5.3243 90; 90; 90 | 885.246 | Yang, H.; Ghose, S. A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 1300 K American Mineralogist, 1995, 80, 9-20 |
1557290 | CIF | C2 H Cl N4 | P b c a | 11.2724; 6.279; 12.5272 90; 90; 90 | 886.67 | Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl 3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines Chemical Science, 2020, 11, 3042-3047 |
9000477 | CIF | Fe O3 Si | P b c a | 18.484; 9.124; 5.2593 90; 90; 90 | 886.971 | Sueno, S.; Cameron, M.; Prewitt, C. T. Orthoferrosilite: High-temperature crystal chemistry T = 400 deg C American Mineralogist, 1976, 61, 38-53 |
1531277 | CIF | Bi Er Ge O5 | P b c a | 5.314; 15.176; 10.999 90; 90; 90 | 887.017 | Cascales, C.; Zaldo, C. Crystal-field analysis of Eu(3+) energy levels in the new rare-earth R Bi Y1-x Rx Ge O5 oxide Journal of Solid State Chemistry, 2003, 171, 262-267 |
7111228 | CIF | C10 H14 | P b c a | 7.0832; 5.9177; 21.2692 90; 90; 90 | 891.53 | 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 |
7204508 | CIF | Bi Ge O5 Yb | P b c a | 5.315; 15.225; 11.025 90; 90; 90 | 892.2 | Concepción Cascales; Juan Antonio Campa; Enrique Gutiérrez Puebla; M. Angeles Monge; Caridad Ruíz Valero; Isidoro Rasines New rare-earth (Y, Yb) bismuth(III) germanates. An initial study of a promising series J. Mater. Chem., 2002, 12, 3626-3630 |
9000358 | CIF | Ca0.032 Fe0.65 Mg1.318 O6 Si2 | P b c a | 18.546; 9.081; 5.298 90; 90; 90 | 892.269 | Smyth, J. R. An orthopyroxene structure up to 850 C T = 850 C American Mineralogist, 1973, 58, 636-648 |
9000478 | CIF | Fe O3 Si | P b c a | 18.527; 9.145; 5.2756 90; 90; 90 | 893.842 | Sueno, S.; Cameron, M.; Prewitt, C. T. Orthoferrosilite: High-temperature crystal chemistry T = 600 deg C American Mineralogist, 1976, 61, 38-53 |
2002792 | CIF | Ba2 Nb2 O10 Te | P b c a | 7.242; 12.433; 9.932 90; 90; 90 | 894.3 | Mueller-Buschbaum, Hk; Wedel, B Zur Kenntnis eines Barium-Oxoniobat-Tellurats: Ba2 Nb2 Te O10 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1996, 51, 1407-1410 |
2106229 | CIF | H14 N4 O8 U | P b c a | 11.109; 12.41; 6.487 90; 90; 90 | 894.315 | Adrian, H. W. W.; van Tets, A. Bis(hydroxylamido)bis(hydroxylamine)dioxouranium(VI) dihydrate Acta Crystallographica B (24,1968-38,1982), 1978, 34, 652-653 |
4105041 | CIF HKL | D5 N O | P b c a | 18.8285; 6.94145; 6.84492 90; 90; 90 | 894.61 | Fortes, A. Dominic; Suard, Emmanuelle; Lemée-Cailleau, Marie-Hélène; Pickard, Christopher J.; Needs, Richard J. Crystal Structure of Ammonia Monohydrate Phase II Journal of the American Chemical Society, 2009, 131, 13508-13515 |
2200040 | CIF HKL Paper | C3 H3 N O2 S | P b c a | 7.2926; 9.3642; 13.1208 90; 90; 90 | 896.01 | Lynch, Daniel E.; McClenaghan, Ian; Light, Mark E. Redetermination of 1,3-thiazolidine-2,4-dione Acta Crystallographica Section E, 2001, 57, o79-o80 |
2300248 | CIF | D | P b c a | 18.8679; 6.94772; 6.85885 90; 90; 90 | 899.12 | Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography, 2009, 42, 846-866 |
7129405 | CIF | C2 H B F3 K | P b c a | 6.9337; 7.0937; 18.3067 90; 90; 90 | 900.43 | Schopper, Nils; Zapf, Ludwig; Sprenger, Jan Arke Peter; Ignat'ev, Nikolai; Finze, Maik Ethyl-, vinyl- and ethynylcyanoborates: Room temperature borate ionic liquids with saturated and unsaturated hydrocarbon chains Chemical Communications, 2022 |
9000479 | CIF | Fe O3 Si | P b c a | 18.569; 9.16; 5.2974 90; 90; 90 | 901.046 | Sueno, S.; Cameron, M.; Prewitt, C. T. Orthoferrosilite: High-temperature crystal chemistry T = 800 deg C American Mineralogist, 1976, 61, 38-53 |
9000958 | CIF | Ge Mg O3 | P b c a | 18.829; 8.952; 5.347 90; 90; 90 | 901.275 | Yamanaka, T.; Hirano, M.; Takeuchi, Y. A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to orthopyroxene (Pbca) type American Mineralogist, 1985, 70, 365-374 |
7223823 | CIF | Bi1.12 Ge O5 Y0.88 | P b c a | 5.341; 15.232; 11.084 90; 90; 90 | 901.729 | Cascales, C.; Campa, J.A.; Gutierrez Puebla, E.; Monge, M.A.; Ruiz-Valero, C.; Rasines, I. New rare-earth (Y, Yb) bismuth(III) germanates. An initial study of a promising series Journal of Materials Chemistry, 2002, 12, 3626-3630 |
7204507 | CIF | Bi Ge O5 Y | P b c a | 5.3419; 15.232; 11.084 90; 90; 90 | 901.9 | Concepción Cascales; Juan Antonio Campa; Enrique Gutiérrez Puebla; M. Angeles Monge; Caridad Ruíz Valero; Isidoro Rasines New rare-earth (Y, Yb) bismuth(III) germanates. An initial study of a promising series J. Mater. Chem., 2002, 12, 3626-3630 |
2106457 | CIF | H4 Li N O5 S | P b c a | 18.46; 7.28; 6.712 90; 90; 90 | 902.018 | Vilminot, S.; Anderson, M.R.; Brown, I.D. The Crystal Structure of Lithium Hydroxylammonium Sulphate Acta Crystallographica B (24,1968-38,1982), 1973, 29, 2628-2630 |
2236720 | CIF HKL Paper | C4 H5 N O2 | P b c a | 7.3661; 9.5504; 12.8501 90; 90; 90 | 903.99 | Yu, Min; Huang, Xing; Gao, Feng Pyrrolidine-2,5-dione Acta Crystallographica Section E, 2012, 68, o2738 |
9001564 | CIF | Ca1.67 H2 Mn0.33 O5 Si | P b c a | 9.398; 9.139; 10.535 90; 90; 90 | 904.833 | Dai, Y. S.; Harlow, G. E.; McGhie, A. R. Poldervaartite, Ca(Ca0.5Mn0.5)(SiO3OH)(OH), a new acid nesosilicate from the Kalahari manganese field, South Africa: Crystal structure and description American Mineralogist, 1993, 78, 1082-1087 |
9003378 | CIF | As H3 O5 Sr | P b c a | 7.4361; 8.4808; 14.348 90; 90; 90 | 904.843 | Jimenez, A.; Prieto, M.; Salvado, M. A.; Garcia-Granda S Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O solid-solution in aqueous environments American Mineralogist, 2004, 89, 601-609 |
9000480 | CIF | Fe O3 Si | P b c a | 18.596; 9.1685; 5.3113 90; 90; 90 | 905.563 | Sueno, S.; Cameron, M.; Prewitt, C. T. Orthoferrosilite: High-temperature crystal chemistry T = 900 deg C American Mineralogist, 1976, 61, 38-53 |
9003379 | CIF | As Ba0.11 H3 O5 Sr0.89 | P b c a | 7.443; 8.477; 14.38 90; 90; 90 | 907.296 | Jimenez, A.; Prieto, M.; Salvado, M. A.; Garcia-Granda S Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O solid-solution in aqueous environments American Mineralogist, 2004, 89, 601-609 |
9000481 | CIF | Fe O3 Si | P b c a | 18.614; 9.172; 5.3199 90; 90; 90 | 908.254 | Sueno, S.; Cameron, M.; Prewitt, C. T. Orthoferrosilite: High-temperature crystal chemistry T = 980 deg C American Mineralogist, 1976, 61, 38-53 |
2002928 | CIF Paper | C12 H12 | P b c a | 7.4544; 6.0826; 20.0946 90; 90; 90 | 911.13 | Kaduk, J.A.; Golab, J.T. Structures of 2,6-disubstituted naphthalenes Acta Crystallographica Section B, 1999, 55, 85-94 |
9010973 | CIF | Ca2 O5 Si | P b c a | 9.34; 9.22; 10.61 90; 90; 90 | 913.678 | Heller, L. The structure of dicalcium silicate alpha-hydrate Acta Crystallographica, 1952, 5, 724-728 |
2105200 | CIF Paper | Al K O2 | P b c a | 5.43867; 10.9236; 15.4564 90; 90; 90 | 918.26 | Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A. The natural tiling approach to cation conductivity in KAlO~2~ polymorphs Acta Crystallographica Section B, 2012, 68, 356-363 |
1526660 | CIF | Al K O2 | P b c a | 5.4482; 10.916; 15.445 90; 90; 90 | 918.554 | Sokolowski, J.; Kotarba, A. The structure of potassium aluminium oxide K Al O2 Materials Science Forum, 2000, 321, 954-959 |
1000099 | CIF | Cl Co H4 O3 P | P b c a | 7.416; 13.082; 9.483 90; 90; 90 | 920 | Marcos, M D; Ibanez, R; Amoros, P; Le Bail, A Layer structure of (CoCl(H~2~PO~2~)) . H~2~O Acta Crystallographica C (39,1983-), 1991, 47, 1152-1155 |
2105201 | CIF Paper | Al K O2 | P b c a | 5.4457; 10.9401; 15.4698 90; 90; 90 | 921.64 | Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A. The natural tiling approach to cation conductivity in KAlO~2~ polymorphs Acta Crystallographica Section B, 2012, 68, 356-363 |
4513595 | CIF | C4 H9 N | P b c a | 5.3132; 10.6916; 16.268 90; 90; 90 | 924.1 | Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K. Pyrrolidine and Its Hydrates in the Solid State Crystal Growth & Design, 2015, 15, 4804 |
1557294 | CIF | C2 H Br N4 | P b c a | 12.7468; 5.60166; 12.9507 90; 90; 90 | 924.72 | Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl 3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines Chemical Science, 2020, 11, 3042-3047 |
1528142 | CIF | Cd O6 P2 | P b c a | 9.607; 13.7; 7.037 90; 90; 90 | 926.181 | Tordjman, I.; Beucher, M.; Guitel, J.C.; Bassi, G. Structure cristalline du polyphosphate de cadmium Cd (P O3)2 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1968, 91, 344-349 |
1007031 | CIF | Cd O6 P2 | P b c a | 9.607; 13.7; 7.037 90; 90; 90 | 926.2 | Bagieu-Beucher, M; Guitel, J C; Tordjman, I; Durif, A Affinement de la structure cristalline du polyphosphate de cadmium. Cd (P O~3~)~2~ Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1974, 97, 481-484 |
2105202 | CIF Paper | Al K O2 | P b c a | 5.456; 10.9617; 15.4893 90; 90; 90 | 926.37 | Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A. The natural tiling approach to cation conductivity in KAlO~2~ polymorphs Acta Crystallographica Section B, 2012, 68, 356-363 |
9007605 | CIF | As Fe H4 O6 | P b c a | 10.325; 8.953; 10.038 90; 90; 90 | 927.91 | Kitahama, K.; Kiriyama, R.; Yoshihisa, B. Refinement of the crystal structure of scorodite Acta Crystallographica, Section B, 1975, 31, 322-324 |
2009858 | CIF | Ca2 H2 O5 Si | P b c a | 9.487; 9.179; 10.666 90; 90; 90 | 928.8 | Marsh, R.E. A Revised Structure for α-Dicalcium Silicate Hydrate Acta Crystallographica Section C, 1994, 50, 996-997 |
9011378 | CIF | Ca2 H2 O5 Si | P b c a | 9.487; 9.179; 10.666 90; 90; 90 | 928.808 | Marsh, R. E. A revised structure for alpha-dicalcium silicate hydrate Acta Crystallographica, Section C, 1994, 50, 996-997 |
2207890 | CIF HKL Paper | C2 H2 N2 S2 | P b c a | 8.623; 8.249; 13.075 90; 90; 90 | 930 | Pu-Zhou Hu; Jian-Ge Wang; Lu-Fang Ma; Bang-Tun Zhao; Li-Ya Wang 1,3,4-Thiadiazolium-2-thiolate Acta Crystallographica Section E, 2006, 62, o350-o351 |
9012212 | CIF | H4 In O6 P | P b c a | 8.842; 10.187; 10.327 90; 90; 90 | 930.189 | Xu, Y.; Koh, L. L.; An, L. H.; Xu, R. R.; Qiu, S. L. A comparative study of a novel microporous indiumphosphate and other M(III)X(V)O4-type microporous materials Journal of Solid State Chemistry, 1995, 117, 373-378 |
7223672 | CIF | H6 N3 P S | P b c a | 9.223; 9.538; 10.584 90; 90; 90 | 931.064 | Schnick, W. Synthese, Struktur und thermisches Verhalten von Thiophosphorsaeuretriamid SP(NH2)3 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1989, 44, 942-945 |
2212542 | CIF HKL Paper | As Fe H4 O6 | P b c a | 8.942; 10.075; 10.339 90; 90; 90 | 931.4 | Yan Xu; Guang-Peng Zhou; Xue-Fang Zheng Redetermination of iron(III) arsenate dihydrate Acta Crystallographica Section E, 2007, 63, i67-i69 |
2105203 | CIF Paper | Al K O2 | P b c a | 5.4668; 10.9862; 15.5103 90; 90; 90 | 931.54 | Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A. The natural tiling approach to cation conductivity in KAlO~2~ polymorphs Acta Crystallographica Section B, 2012, 68, 356-363 |
4031497 | CIF | Cl2 N4 S6 | P b c a | 7.88; 14.46; 8.19 90; 90; 90 | 933.208 | Small, R.W.H.; Banister, A.J.; Hauptman, Z.V. Hexasulphur tetranitrogen dichloride, S6 N4 Cl2: Crystal growth and crystal structure Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1984, 1984, 1377-1381 |
9011045 | CIF | H4 In O6 P | P b c a | 10.36; 8.84; 10.19 90; 90; 90 | 933.225 | Mooney-Slater R C L X-ray diffraction study of indium phosphate dihydrate and isostructural thallic compounds Acta Crystallographica, 1961, 14, 1140-1146 |
4339990 | CIF | C2 H4 O4 Se | P b c a | 8.499; 9.246; 11.9 90; 90; 90 | 935.1 | Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid. Inorganic chemistry, 2014, 53, 6569-6577 |
9000957 | CIF | Ge Mg O3 | P b c a | 19.011; 9.084; 5.415 90; 90; 90 | 935.148 | Yamanaka, T.; Hirano, M.; Takeuchi, Y. A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to orthopyroxene (Pbca) type American Mineralogist, 1985, 70, 365-374 |
2105204 | CIF Paper | Al K O2 | P b c a | 5.4788; 11.0123; 15.5359 90; 90; 90 | 937.35 | Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A. The natural tiling approach to cation conductivity in KAlO~2~ polymorphs Acta Crystallographica Section B, 2012, 68, 356-363 |
2219602 | CIF HKL Paper | C10 H8 N2 O2 | P b c a | 6.877; 8.996; 15.171 90; 90; 90 | 938.6 | Ma, Qi; Lu, Li-Ping; Zhu, Miao-Li 1,2-Bis(2-furylmethylene)hydrazine Acta Crystallographica Section E, 2008, 64, o2026 |
9014505 | CIF | O3 Ti1.67 | P b c a | 9.781; 9.778; 9.815 90; 90; 90 | 938.693 | Ma, C.; Tschauner, O.; Beckett, J. R.; Rossman, G. R.; Liu, W. Panguite, (Ti4+,Sc,Al,Mg,Zr,Ca)1.8O3, a new ultra-refractory titania mineral from the Allende meteorite: Synchrotron micro-diffraction and EBSD American Mineralogist, 2012, 97, 1219-1225 |
4000901 | CIF | C10 H9 Cu N2 O2 | P b c a | 11.924; 5.2521; 14.989 90; 90; 90 | 938.7 | Vidjayacoumar, Balamurugan; Emslie, David J. H.; Clendenning, Scott B.; Blackwell, James M.; Britten, James F.; Rheingold, Arnold Investigation of AlMe3, BEt3, and ZnEt2as Co-Reagents for Low-Temperature Copper Metal ALD/Pulsed-CVD Chemistry of Materials, 2010, 22, 4844 |
4513596 | CIF | C4 H9 N | P b c a | 5.3112; 10.7769; 16.432 90; 90; 90 | 940.54 | Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K. Pyrrolidine and Its Hydrates in the Solid State Crystal Growth & Design, 2015, 15, 4804 |
4004063 | CIF | C1.14 H1.43 N0.86 | P b c a | 10.906; 5.7031; 15.132 90; 90; 90 | 941.2 | Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)− Chemistry of Materials, 2022, 34, 1976-1984 |
2105205 | CIF Paper | Al K O2 | P b c a | 5.4888; 11.0346; 15.5598 90; 90; 90 | 942.41 | Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A. The natural tiling approach to cation conductivity in KAlO~2~ polymorphs Acta Crystallographica Section B, 2012, 68, 356-363 |
4113795 | CIF | C H5 N Te Zn | P b c a | 7.179; 6.946; 18.913 90; 90; 90 | 943.1 | 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 |
7100393 | CIF | C4 H7 N O | P b c a | 5.72; 10.16; 16.241 90; 90; 90 | 943.85 | Chemical Communications, 2005 |
2002619 | CIF | Bi Ca O5 V | P b c a | 11.2022; 5.4283; 15.5605 90; 90; 90 | 946.2 | Boje, J; Mueller-Buschbaum, Hk Synthese und Kristallstruktur von Ca Bi V O5 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1993, 619, 521-524 |
7208995 | CIF | C10 H6 N4 O2 | P b c a | 5.1519; 11.244; 16.37 90; 90; 90 | 948.3 | Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs CrystEngComm, 2013, 15, 152 |
4301645 | CIF | C3 Ag N3 O | P b c a | 10.3063; 7.986; 11.5458 90; 90; 90 | 950.3 | Garrett Glover; Nikolay Gerasimchuk; Richard Biagioni; Konstantin V. Domasevitch Monovalent K, Cs, Tl, and Ag Nitrosodicyanomethanides: Completely Different 3D Networks with Useful Properties of Luminescent Materials and Nonelectric Sensors for Gases Inorganic Chemistry, 2009, 48, 2371-2382 |
2010625 | CIF Paper | Hg O6 P2 | P b c a | 9.709; 13.748; 7.128 90; 90; 90 | 951.4 | Weil, Matthias; Glaum, Robert Mercury(II) polyphosphate, Hg(PO~3~)~2~ Acta Crystallographica Section C, 2000, 56, 133-135 |
2003716 | CIF Paper | C3 H5 N3 O2 | P b c a | 9.891; 6.492; 14.84 90; 90; 90 | 952.9 | Tenon, J. A.; Carles, M.; Aycard, J.-P. 4-Méthyl-1,2,4-triazolidine-3,5-dione (Méthylurazole) Acta Crystallographica Section C, 1995, 51, 1440-1442 |
2103971 | CIF HKL Paper | C H3 Na2 O6 | P b c a | 6.6521; 15.7579; 9.1062 90; 90; 90 | 954.54 | Pritchard, Robin Gavin; Islam, Emran Sodium percarbonate between 293 and 100K Acta Crystallographica Section B, 2003, 59, 596-605 |
1535168 | CIF | As3 La Si | P b c a | 6.084; 5.986; 26.235 90; 90; 90 | 955.448 | Hayakawa, H.; Ono, S.; Suzuki, A. The crystal structure of lanthanum silicon triarsenide (La Si As3) Nippon Kagaku Kaishi (= J.Chem.Soc.Japan) (1947-), 1984, 1984, 697-701 |
2103970 | CIF Paper | C H3 Na2 O6 | P b c a | 6.6592; 15.7511; 9.1254 90; 90; 90 | 957.16 | Pritchard, Robin Gavin; Islam, Emran Sodium percarbonate between 293 and 100K Acta Crystallographica Section B, 2003, 59, 596-605 |
2105425 | CIF | B4 O7 Zn | P b c a | 13.714; 8.091; 8.631 90; 90; 90 | 957.696 | Martinez-Carrera, S.; Martinez-Ripoll, M.; Garcia-Blanco, S. The crystal structure of zinc diborate, Zn B4 O7 Acta Crystallographica B (24,1968-38,1982), 1971, 27, 672-677 |
2106897 | CIF | Ca O5 Se2 | P b c a | 6.492; 14.521; 10.17 90; 90; 90 | 958.729 | Delage, C.; Goursolle, M.; Carpy, A. Structure du Diseleniate(IV) de Calcium Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1278-1280 |
1511654 | CIF | B4 Co O7 | P b c a | 8.1189; 8.621; 13.737 90; 90; 90 | 961.494 | Taylor, N.J.; Rowsell, J.L.C.; Nazar, L.F. Crystallographic investigation of the Co - B - O system Journal of Solid State Chemistry, 2003, 174, 189-197 |
1535458 | CIF | Br0.3 I1.7 Sr | P b c a | 15.15; 8.14; 7.805 90; 90; 90 | 962.52 | Hodorowicz, S.A.; Eick, H.A. An X-ray diffraction study of the Sr Brx I2-x system Journal of Solid State Chemistry, 1983, 46, 313-320 |
2103969 | CIF Paper | C H3 Na2 O6 | P b c a | 6.6871; 15.7473; 9.154 90; 90; 90 | 963.95 | Pritchard, Robin Gavin; Islam, Emran Sodium percarbonate between 293 and 100K Acta Crystallographica Section B, 2003, 59, 596-605 |
1522123 | CIF | Ga K O2 | P b c a | 5.51; 11.07; 15.81 90; 90; 90 | 964.342 | Vielhaber, E.; Hoppe, R. Oxogallate der Alkalimetalle Zeitschrift fuer Anorganische und Allgemeine Chemie, 1969, 369, 14-32 |
7151589 | CIF | C2 H7 Cl F N | P b c a | 7.621; 8.543; 14.83 90; 90; 90 | 965.5 | Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K. The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated. Organic & biomolecular chemistry, 2004, 2, 732-740 |
1537406 | CIF | Ge Mn O3 | P b c a | 5.437; 19.245; 9.228 90; 90; 90 | 965.572 | Herpin, P.; Whuler, A.; Boucher, B.; Sougi, M. Etude cristallographique et magnetique de Mn Ge O3 Physica Status Solidi, Sectio B: Basic Research, 1971, 44, 71-84 |
4329921 | CIF | Cl4 Tc | P b c a | 6.0111; 11.5308; 13.9334 90; 90; 90 | 965.76 | Erik V. Johnstone; Frederic Poineau; Paul M. Forster; Longzou Ma; Thomas Hartmann; Andrew Cornelius; Daniel Antonio; Alfred P. Sattelberger; Kenneth R. Czerwinski Technetium Tetrachloride Revisited: A Precursor to Lower-Valent Binary Technetium Chlorides Inorganic Chemistry, 2012, 51, 8462-8467 |
2103968 | CIF Paper | C H3 Na2 O6 | P b c a | 6.6971; 15.741; 9.1635 90; 90; 90 | 966.01 | Pritchard, Robin Gavin; Islam, Emran Sodium percarbonate between 293 and 100K Acta Crystallographica Section B, 2003, 59, 596-605 |
4310415 | CIF | C12 H12 N2 | P b c a | 11.9978; 10.7508; 7.4927 90; 90; 90 | 966.45 | Pauline Pearson; Christopher M. Kepert; Glen B. Deacon; Leone Spiccia; Andrew C. Warden; Brian W. Skelton; Allan H. White Carbonyl-Carboxylato-Ruthenium Complexes Incorporating Diimine Ligands and Unexpected Cyclometalation of Carboxylate Ligands Inorganic Chemistry, 2004, 43, 683-691 |
1535462 | CIF | Br0.2 I1.8 Sr | P b c a | 15.189; 8.174; 7.84 90; 90; 90 | 973.374 | Hodorowicz, S.A.; Eick, H.A. An X-ray diffraction study of the Sr Brx I2-x system Journal of Solid State Chemistry, 1983, 46, 313-320 |
1511482 | CIF | B4 Mn O7 | P b c a | 8.62354; 14.0071; 8.07237 90; 90; 90 | 975.068 | Bernstein, J.L.; Sherwood, R.C.; Gibart, P.; Abrahams, S.C. Manganese diborate. Crystal structure, magnetization, and thermal extinction dependence Journal of Chemical Physics, 1974, 60, 1899-1905 |
4319732 | CIF | C4 Cl2 N4 S4 | P b c a | 5.1469; 13.343; 14.2031 90; 90; 90 | 975.4 | Tosha M. Barclay; Leanne Beer; A. Wallace Cordes; Richard T. Oakley; Kathryn E. Preuss; Robert W. Reed; Nicholas J. Taylor 5,5'-Bridged Bis(1,2,3-dithiazoles): Spin States and Charge-Transfer Chemistry Inorganic Chemistry, 2001, 40, 2709-2714 |
4320205 | CIF | C4 Cl2 N4 S4 | P b c a | 5.1469; 13.343; 14.2031 90; 90; 90 | 975.4 | Leanne Beer; James F. Britten; A. Wallace Cordes; Owen P. Clements; Richard T. Oakley; Maren Pink; Robert W. Reed Benzo[2,1-c:3,4-c']bis(1,2,3-thiaselenazole) (BSe) and Its Charge Transfer Chemistry. Crystal and Electronic Structure of [BSe]3[ClO4]2 Inorganic Chemistry, 2001, 40, 4705-4709 |
9008180 | CIF | Ge Mn O3 | P b c a | 19.267; 9.248; 5.477 90; 90; 90 | 975.899 | Fang, J. H.; Townes, W. D.; Robinson, P. D. The crystal structure of manganese metagermanate, MnGeO3 Note: x coordinate of O6 altered to a reasonable value Zeitschrift fur Kristallographie, 1969, 130, 139-147 |
4346690 | CIF | C2 H10 B N | P b c a | 8.697; 7.939; 14.175 90; 90; 90 | 978.7 | Stubbs, Naomi E.; Schäfer, André; Robertson, Alasdair P. M.; Leitao, Erin M.; Jurca, Titel; Sparkes, Hazel A.; Woodall, Christopher H.; Haddow, Mairi F.; Manners, Ian B-Methylated Amine-Boranes: Substituent Redistribution, Catalytic Dehydrogenation, and Facile Metal-Free Hydrogen Transfer Reactions. Inorganic chemistry, 2015, 54, 10878-10889 |
2300701 | CIF | C2 Ba N4 Zn | P b c a | 11.9532; 11.9452; 6.8555 90; 90; 90 | 978.85 | Houben, Andreas; Meinerzhagen, Yannick; Nachtigall, Noah; Jacobs, Philipp; Dronskowski, Richard POWTEX visits POWGEN. Journal of applied crystallography, 2023, 56, 633-642 |
4303530 | CIF | C2 H N3 Pb S | P b c a | 8.8582; 8.4826; 13.0291 90; 90; 90 | 979 | Jian-Kai Cheng; Jian Zhang; Pei-Xiu Yin; Qi-Pu Lin; Zhao-Ji Li; Yuan-Gen Yao Temperature-Controlled Syntheses of Substituted 1,2,4-Triazolelead(II) Complexes: Active Lone Pair and N-H...X (X = Cl, Br, I) Hydrogen Bonds Inorganic Chemistry, 2009, 48, 9992-9994 |
7215086 | CIF | C4 H10 N8 O4 | P b c a | 7.6818; 6.7692; 18.884 90; 90; 90 | 982 | Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate Journal of Materials Chemistry, 2012, 22, 20418 |
1531142 | CIF | As H4 In O6 | P b c a | 9.09; 10.344; 10.468 90; 90; 90 | 984.274 | Chen Zhenxia; Zhao, D.-Y.; Weng, L.-H.; Zhou, Y.-M.; Zhang, H.-Y. Synthesis and structure of a new three-dimensional microporous indium arsenate Hua Hsueh Hsueh Pao, 2002, 60, 305-309 |
7047947 | CIF | B4 H20 N2 Sr | P b c a | 8.47444; 13.56258; 8.57401 90; 90; 90 | 985.456 | Jørgensen, Mathias; Lee, Young-Su; Bjerring, Morten; Jepsen, Lars H.; Akbey, Ümit; Cho, Young Whan; Jensen, Torben R. Disorder induced polymorphic transitions in the high hydrogen density compound Sr(BH<sub>4</sub>)<sub>2</sub>(NH<sub>3</sub>BH<sub>3</sub>)<sub>2</sub>. Dalton transactions (Cambridge, England : 2003), 2018, 47, 16737-16746 |
4344264 | CIF | Cl4 Tc | P b c a | 11.65; 14.06; 6.03 90; 90; 90 | 987.708 | Elder, M.; Penfold, B.R. The Crystal Structure of Technetium(IV) Chloride. A New AB4 Structure Inorganic Chemistry, 1966, 5, 1197-1200 |
9008163 | CIF | I2 Sr | P b c a | 15.22; 8.22; 7.9 90; 90; 90 | 988.356 | Barnighausen, H.; Beck, H.; Grueninger, H. W.; Rietschel, E. T.; Schultz, N. Neue AB2-strukturtypen mit siebenfach koordiniertem kation Zeitschrift fur Kristallographie, 1969, 128, 430-430 |
4027610 | CIF | C12 H6 O2 S2 | P b c a | 10.22625; 5.79315; 16.6887 90; 90; 90 | 988.68 | John T. Henssler; Adam J. Matzger Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes Journal of Organic Chemistry, 2012, 77, 9298-9303 |
4314581 | CIF | C2 H3 Mg O6 P | P b c a | 8.6374; 9.6892; 11.8164 90; 90; 90 | 988.9 | Rosario M. P. Colodrero; Pascual Olivera-Pastor; Aurelio Cabeza; Maria Papadaki; Konstantinos D. Demadis; Miguel A. G. Aranda Structural Mapping and Framework Interconversions in 1D, 2D, and 3D Divalent Metal R,S-Hydroxyphosphonoacetate Hybrids Inorganic Chemistry, 2010, 49, 761-768 |
2300700 | CIF | C2 Ba N4 Zn | P b c a | 12.0252; 11.9873; 6.8715 90; 90; 90 | 990.52 | Houben, Andreas; Meinerzhagen, Yannick; Nachtigall, Noah; Jacobs, Philipp; Dronskowski, Richard POWTEX visits POWGEN. Journal of applied crystallography, 2023, 56, 633-642 |
4135601 | CIF | C H6 N4 O4 | P b c a | 9.5532; 6.3625; 16.3333 90; 90; 90 | 992.77 | Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327 |
9004189 | CIF | C H4 B O7 Sm0.1 Y0.9 | P b c a | 9.089; 12.244; 8.926 90; 90; 90 | 993.336 | Grice, J. D.; Ercit, T. S. The crystal structure of moydite The Canadian Mineralogist, 1986, 24, 675-678 |
2202943 | CIF HKL Paper | C8 H10 Br2 O4 | P b c a | 10.5125; 8.3836; 11.2817 90; 90; 90 | 994.29 | Echeverría, Gustavo A.; Goeta, Andrés; Barón, Máximo; Punte, Graciela <i>trans</i>-1,4-Dibromocyclohexane-1,4-dicarboxylic acid Acta Crystallographica Section E, 2003, 59, o959-o961 |
1535466 | CIF | I2 Sr | P b c a | 15.268; 8.251; 7.896 90; 90; 90 | 994.709 | Hodorowicz, S.A.; Eick, H.A. An X-ray diffraction study of the Sr Brx I2-x system Journal of Solid State Chemistry, 1983, 46, 313-320 |
1530885 | CIF | Fe K O2 | P b c a | 5.577; 11.227; 15.89 90; 90; 90 | 994.92 | Tomkowicz, Z.; Szytula, A. Crystal and magnetic structure of K Fe O2 Journal of Physics and Chemistry of Solids, 1977, 38, 1117-1123 |
9003380 | CIF | As Ba H3 O5 | P b c a | 7.7519; 8.759; 14.668 90; 90; 90 | 995.941 | Jimenez, A.; Prieto, M.; Salvado, M. A.; Garcia-Granda S Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O solid-solution in aqueous environments American Mineralogist, 2004, 89, 601-609 |
4507243 | CIF | C7 H6 N2 | P b c a | 9.782; 7.859; 12.967 90; 90; 90 | 996.9 | Zieliński, Witold; Katrusiak, Andrzej Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs Crystal Growth & Design, 2013, 13, 696 |
7025522 | CIF | C H4 Ag Cl N2 S | P b c a | 8.464; 7.0191; 16.7986 90; 90; 90 | 998 | Bowmaker, Graham A.; Pakawatchai, Chaveng; Saithong, Saowanit; Skelton, Brian W.; White, Allan H. Structural and spectroscopic studies of some adducts of silver(I) halides with thiourea and N-ethyl substituted thioureas. Dalton transactions (Cambridge, England : 2003), 2010, 39, 4391-4404 |
7100391 | CIF | C4 H7 N O | P b c a | 5.934; 10.242; 16.436 90; 90; 90 | 998.9 | Chemical Communications, 2005 |
4502308 | CIF | C2 Cu O6 P | P b c a | 8.60953; 9.89223; 11.7314 90; 90; 90 | 999.13 | Demadis, Konstantinos D.; Papadaki, Maria; Aranda, Miguel A. G.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Sanakis, Yiannis Stepwise Topotactic Transformations (1D to 3D) in Copper Carboxyphosphonate Materials: Structural Correlations Crystal Growth & Design, 2010, 10, 357 |
1531780 | CIF | Fe2 K2 O4 | P b c a | 5.5918; 11.221; 15.928 90; 90; 90 | 999.412 | Moeller, A. Das gemischtvalente ternaere Oxoferrat(II,III) K3 (Fe2 O4) - eine aufgefuellte Variante des K2 (Fe2 O4) - Typs Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2537-2541 |
1535793 | CIF | Ni5 P3 Si2 | P b c a | 4.932; 34.14; 5.941 90; 90; 90 | 1000.34 | Il'nitskaya, O.N.; Grin', Yu.; Kuz'ma, Yu.B. Crystal chemical studies of inhomogeneous linear structures. IX.A series of inhomogeneous linear structure of M2m+2n X2m+2n and its new member Ni5 Si2 P3. Kristallografiya, 1992, 37, 146-150 |
4343598 | CIF | F2 O3 S Xe | P b c a | 9.88; 10; 10.13 90; 90; 90 | 1000.84 | Bartlett, N.; Wechsberg, M.; Jones, G.R.; Burbank, R.D. The crystal structure of xenon(II) fluoride fluorosulfate, F Xe O S O2 F Inorganic Chemistry, 1972, 11, 1124-1127 |
1000362 | CIF | C Eu F3 Na2 O3 | P b c a | 6.596; 10.774; 14.09 90; 90; 90 | 1001.3 | Mercier, N; Leblanc, M A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~ Acta Crystallographica C (39,1983-), 1994, 50, 1864-1865 |
2010336 | CIF | C Eu F3 Na2 O3 | P b c a | 6.596; 10.774; 14.09 90; 90; 90 | 1001.3 | Mercier, Nicolas; Leblanc, Marc A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~ Acta Crystallographica, Section C: Crystal Structure Communications, 1994, 50, 1864-1865 |
2310110 | CIF | B4 Cd O7 | P b c a | 8.21; 8.7; 14.18 90; 90; 90 | 1012.84 | Krogh-Moe, J.; Ihara, M. The crystal structure of cadmium diborate, Cd O (B2 O3)2 Acta Crystallographica (1,1948-23,1967), 1966, 20, 132-134 |
1547283 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6343; 11.2778; 15.9493 90; 90; 90 | 1013.46 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
7045074 | CIF | F O5 Se Sr V | P b c a | 9.7816; 8.0278; 12.9267 90; 90; 90 | 1015.07 | Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao A(VO<sub>2</sub>F)(SeO<sub>3</sub>) (A = Sr, Ba) and Ba(MOF<sub>2</sub>)(TeO<sub>4</sub>) (M = Mo, W): first examples of alkali-earth selenites/tellurites with a fluorinated d<sup>0</sup>-TM octahedron. Dalton transactions (Cambridge, England : 2003), 2018, 47, 1513-1519 |
1547284 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6351; 11.3134; 15.9647 90; 90; 90 | 1017.78 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
4507242 | CIF | C7 H6 N2 | P b c a | 9.81; 7.966; 13.074 90; 90; 90 | 1021.7 | Zieliński, Witold; Katrusiak, Andrzej Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs Crystal Growth & Design, 2013, 13, 696 |
4319950 | CIF | Cl N2 S Se2 | P b c a | 8.5721; 7.8336; 15.2277 90; 90; 90 | 1022.55 | Arto Maaninen; Jari Konu; Risto S. Laitinen; Tristram Chivers; Gabriele Schatte; Jarkko Pietikäinen; Markku Ahlgrén Preparation, Crystal Structure, and Spectroscopic Characterization of [(Se2SN2)Cl]2 Inorganic Chemistry, 2001, 40, 3539-3543 |
1547285 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6443; 11.3472; 15.9872 90; 90; 90 | 1023.93 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
4338390 | CIF | Ba Ge4 Rh2 S6 | P b c a | 5.95124; 5.89412; 29.2011 90; 90; 90 | 1024.3 | Lei, Hechang; Yamaura, Jun-Ichi; Guo, Jiangang; Qi, Yanpeng; Toda, Yoshitake; Hosono, Hideo Layered Compounds BaM2Ge4Ch6 (M = Rh, Ir and Ch = S, Se) with Pyrite-Type Building Blocks and Ge-Ch Heteromolecule-Like Anions. Inorganic chemistry, 2014, 53, 5684-5691 |
1561867 | CIF | Ga2 O5 Sr2 | P b c a | 10.0021; 9.601; 10.67 90; 90; 90 | 1024.6 | Kahlenberg, Volker; Goettgens, Valerie; Mair, Philipp; Schmidmair, Daniela High-pressure synthesis and crystal structures of the strontium oxogallates Sr2Ga2O5 and Sr5Ga6O14 Journal of Solid State Chemistry, 2015, 228, 27-35 |
4507241 | CIF | C7 H6 N2 | P b c a | 9.821; 7.969; 13.109 90; 90; 90 | 1026 | Zieliński, Witold; Katrusiak, Andrzej Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs Crystal Growth & Design, 2013, 13, 696 |
4338327 | CIF | H0 N0.8 O4 Pb1.6 | P b c a | 5.969; 11.931; 14.45 90; 90; 90 | 1029 | Wang, Genxiang; Luo, Min; Ye, Ning; Lin, Chensheng; Cheng, Wendan Series of Lead Oxide Hydroxide Nitrates Obtained by Adjusting the pH Values of the Reaction Systems. Inorganic chemistry, 2014, 53, 5222-5228 |
7218127 | CIF | Bi Ge N O7 | P b c a | 11.4551; 4.95346; 18.1676 90; 90; 90 | 1030.87 | Kobayashi, Kiyoshi; Ikeda, Takuji; Hiyoshi, Norihito; Sakka, Yoshio Discovery of a new crystalline phase: BiGeO2(OH)2(NO3) CrystEngComm, 2014, 16, 10080 |
1547286 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6581; 11.3735; 16.0267 90; 90; 90 | 1031.36 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547287 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6848; 11.3764; 16.09 90; 90; 90 | 1040.6 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
4340647 | CIF | F O5 Pb Se V | P b c a | 9.812; 8.147; 13.026 90; 90; 90 | 1041.3 | Cao, Xue-Li; Kong, Fang; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao Pb4V6O16(SeO3)3(H2O), Pb2VO2(SeO3)2Cl, and PbVO2(SeO3)F: New Lead(II)-Vanadium(V) Mixed-Metal Selenites Featuring Novel Anionic Skeletons. Inorganic chemistry, 2014, 53, 8816-8824 |
2211397 | CIF HKL Paper | C6 H16 Br2 N2 | P b c a | 7.4264; 8.9074; 15.8018 90; 90; 90 | 1045.29 | Rademeyer, Melanie <i>trans</i>-Cyclohexane-1,4-diammonium dibromide Acta Crystallographica Section E, 2006, 62, o5767-o5769 |
2105480 | CIF HKL Paper | C3 H8 N2 S | P b c a | 6.15884; 11.5953; 14.639 90; 90; 90 | 1045.42 | Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns Acta Crystallographica Section B, 2013, 69, 405-413 |
2201763 | CIF | B4 Hg O7 | P b c a | 8.3994; 8.8066; 14.137 90; 90; 90 | 1045.7 | Weil, Matthias HgB~4~O~7~, a member of the isotypic M^II^B~4~O~7~ family (M^II^ = Mg, Mn, Zn, Cd) Acta Crystallographica, Section E, 2003, 59, i40-i42 |
9007943 | CIF | B4 Hg O7 | P b c a | 8.3994; 8.8066; 14.137 90; 90; 90 | 1045.72 | Weil, M. HgB4O7, a member of the isotypic MIIB4O7 family (MII = Mg, Mn, Zn, Cd) Acta Crystallographica, Section E, 2003, 59, i40-i42 |
2209643 | CIF HKL Paper | C6 H8 Co Na2 O10 | P b c a | 6.7815; 9.348; 16.509 90; 90; 90 | 1046.6 | Da-Qi Wang Poly[diaqua-di-μ-malonato-cobalt(II)disodium(I)] Acta Crystallographica Section E, 2006, 62, m1530-m1532 |
2236845 | CIF HKL Paper | C5 H7 N3 | P b c a | 11.4447; 7.1447; 12.803 90; 90; 90 | 1046.89 | Draguta, Sergiu; Khrustalev, Victor N.; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V. Pyridine-2,5-diamine Acta Crystallographica Section E, 2012, 68, o3353 |
2016139 | CIF HKL Paper | B2 F8 Sr | P b c a | 9.121; 8.714; 13.18 90; 90; 90 | 1047.6 | Bunic̆, Tina; Tavc̆ar, Gas̆per; Goreshnik, Evgeny; Z̆emva, Boris Strontium tetrafluoridoborate and barium tetrafluoridoborate Acta Crystallographica Section C, 2007, 63, i75-i76 |
1515722 | CIF | C13 H10 F N | P b c a | 7.5432; 11.7934; 11.8041 90; 90; 90 | 1050.09 | Mondal, Barnali; Captain, Burjor; Ramamurthy, V. Photodimerization of HCl salts of azastilbenes in the solid state. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2011, 10, 891-894 |
1000079 | CIF | H K O6 P V | P b c a | 6.755; 9.1026; 17.0808 90; 90; 90 | 1050.3 | Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction European Journal of Solid State Inorganic Chemistry, 1988, 25, 599-607 |
8102092 | CIF | C24 H24 N4 O4 | P b c a | 8.06; 11.318; 11.547 90; 90; 90 | 1053.4 | Li, J.; Li, D.-S.; Fu, F.; Wang, D.-J.; Dai, J.-Y.; Qi, G.-C. Crystal structure of 1,2-bis(4-pyridyl)-glycol, C~24~H~24~N~4~O~4~ Zeitschrift für Kristallographie - New Crystal Structures, 2007, 222, 125-126 |
8107151 | CIF | H2 K Li Mo O5 | P b c a | 10.606; 7.742; 12.845 90; 90; 90 | 1054.7 | Park, Garam; Oh, In-Hwan; Kyeong Yu, Su; Park, Hyun-Min; Kim, Ho-Sung Redetermination of the crystal structure of potassium lithium molybdate monohydrate, KLiMoO4·H2O Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 1221-1222 |
4308740 | CIF | B2 Cd F8 | P b c a | 9.1271; 8.746; 13.225 90; 90; 90 | 1055.7 | Gašper Tavčar; Boris Žemva XeF2 as a Ligand in a Coordination Compound with the BF4- Anion Inorganic Chemistry, 2005, 44, 1525-1529 |
2006874 | CIF Paper | C6 H8 Cu Na2 O10 | P b c a | 6.814; 9.497; 16.374 90; 90; 90 | 1059.6 | Barnes, John C.; Weakley, Timothy J.R. Disodium Bis(malonato)cuprate(II) Dihydrate Acta Crystallographica Section C, 1997, 53, IUC9700026 |
2237586 | CIF HKL Paper | C3 H3 F3 O3 | P b c a | 10.586; 9.248; 10.826 90; 90; 90 | 1059.9 | Gerber, Thomas; Betz, Richard <i>rac</i>-3,3,3-Trifluorolactic acid Acta Crystallographica Section E, 2013, 69, o336 |
4031254 | CIF | C2 H2 Na O6 P Zn | P b c a | 10.1365; 9.6893; 10.7942 90; 90; 90 | 1060.16 | Lai Zhuzhi; Hu Shengmin; Fu Ruibiao; Wu Xintao Syntheses, crystal structures, thermal stabilities, and magnetic and luminescent properties of 3D heterometal phosphonates: Na M [O3 P C H (O H) C O2] (M = Mn, Fe, Co, Zn) European Journal of Inorganic Chemistry, 2007, 2007, 5439-5446 |
7712632 | CIF | Eu0.012 Li2.989 N O2 Si | P b c a | 18.7355; 11.1267; 5.0897 90; 90; 90 | 1061.02 | Rießbeck, Kilian Max; Wimmer, Daniel Sebastian; Seibald, Markus; Baumann, Dominik; Wurst, Klaus; Heymann, Gunter; Huppertz, Hubert Polymorphism and polymorph-dependent luminescence properties of the first lithium oxonitridolithosilicate Li3SiNO2:Eu2+ Dalton Transactions, 2023 |
2203026 | CIF HKL Paper | C6 H8 Na2 O10 Zn | P b c a | 6.8359; 9.3875; 16.5518 90; 90; 90 | 1062.2 | Dong-Dong Lin; Li Zhang; Duan-Jun Xu Poly[disodium bis(μ-malonato)zincate(II) dihydrate] Acta Crystallographica Section E, 2003, 59, m1010-m1012 |
7117899 | CIF | Al Na5 O4 | P b c a | 5.894; 17.87; 10.095 90; 90; 90 | 1063.26 | Barker, M.G.; Gadd, P.G.; Begley, M.J. Preparation and crystal structures of the first alkali-rich sodium aluminates Na7 Al3 O8 and Na5 Al O4 Journal of the Chemical Society. Chemical Communications (1972-), 1981, 1981, 379-381 |
7203377 | CIF | C6 H8 Cu Na2 O10 | P b c a | 6.827; 9.517; 16.406 90; 90; 90 | 1065.9 | Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion CrystEngComm, 2006, 8, 507 |
4031253 | CIF | C2 H2 Co Na O6 P | P b c a | 10.1998; 9.689; 10.7943 90; 90; 90 | 1066.76 | Lai Zhuzhi; Fu Ruibiao; Hu Shengmin; Wu Xintao Syntheses, crystal structures, thermal stabilities, and magnetic and luminescent properties of 3D heterometal phosphonates: Na M [O3 P C H (O H) C O2] (M = Mn, Fe, Co, Zn) European Journal of Inorganic Chemistry, 2007, 2007, 5439-5446 |
2200819 | CIF HKL Paper | H2 K Li O5 W | P b c a | 10.671; 7.767; 12.876 90; 90; 90 | 1067.2 | Radosavljevic Evans, I.; Howard, Judith A. K. Lithium potassium tungstate monohydrate, LiKWO~4~·H~2~O Acta Crystallographica Section E, 2002, 58, i26-i28 |
2236784 | CIF HKL Paper | C12 H10 N4 | P b c a | 6.8604; 9.4534; 16.4789 90; 90; 90 | 1068.72 | Wang, Qian; Zhao, Xiao-Li 4-[4-(1<i>H</i>-Imidazol-4-yl)phenyl]-1<i>H</i>-imidazole Acta Crystallographica Section E, 2012, 68, o2618 |
4314584 | CIF | C2 H2 Mg Na O6 P | P b c a | 10.19057; 9.69876; 10.82375 90; 90; 90 | 1069.78 | Rosario M. P. Colodrero; Pascual Olivera-Pastor; Aurelio Cabeza; Maria Papadaki; Konstantinos D. Demadis; Miguel A. G. Aranda Structural Mapping and Framework Interconversions in 1D, 2D, and 3D Divalent Metal R,S-Hydroxyphosphonoacetate Hybrids Inorganic Chemistry, 2010, 49, 761-768 |
2224535 | CIF HKL Paper | C5 H6 N2 O2 | P b c a | 6.3953; 12.2472; 13.6613 90; 90; 90 | 1070 | Gratton, Jessica L.; Knaust, Jacqueline M. 2-Methylpyrazine 1,4-dioxide Acta Crystallographica Section E, 2009, 65, o3040 |
2208359 | CIF HKL Paper | C6 H8 Mn Na2 O10 | P b c a | 6.8235; 9.5334; 16.4932 90; 90; 90 | 1072.9 | Yong-Tao Wang; Gui-Mei Tang; Xu-Yang Qin Poly[diaquadi-μ-malonato-manganese(II)disodium(I)] Acta Crystallographica Section E, 2006, 62, m582-m584 |
2310222 | CIF | Ni10 Zr7 | P b c a | 12.497; 9.21; 9.325 90; 90; 90 | 1073.28 | Kirkpatrick, M.E.; Smith, J.F.; Larsen, W.L. Structures of the intermediate phases Ni10 Zr7 and Ni10 Hf7 Acta Crystallographica (1,1948-23,1967), 1962, 15, 894-903 |
7236868 | CIF | C2 Ca Na2 O6 | P b c a | 10.0411; 8.7472; 12.2267 90; 90; 90 | 1073.89 | Song, Yunxia; Luo, Min; Zhao, Dan; Peng, Guang; Lin, Chensheng; Ye, Ning Explorations of new UV nonlinear optical materials in the Na2CO3‒CaCO3system Journal of Materials Chemistry C, 2017, 5, 8758 |
7222546 | CIF | Ca2 N4 Sr W | P b c a | 10.177; 9.344; 11.318 90; 90; 90 | 1076.27 | Berger, U.; Schultz-Coulon, V.; Schnick, W. Ca2 Sr (W N4), das erste gemischte Erdalkalimetall-nitridowolframat Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1995, 50, 213-216 |
2209207 | CIF HKL Paper | C8 H18 N2 O6 | P b c a | 6.506; 11.344; 14.587 90; 90; 90 | 1076.6 | Shen, Li; Wang, Feng-Wu; Cheng, Ai-Bin; Yang, Song 2,2'-(Piperazine-1,4-diium-1,4-diyl)diacetate dihydrate Acta Crystallographica Section E, 2006, 62, o2242-o2244 |
7058777 | CIF | C3 H6 Cl F2 N | P b c a | 10.334; 9.277; 11.237 90; 90; 90 | 1077.3 | Chen, Jifeng; Yu, Yi; Zhang, Shujuan; Li, Yuchuan; Pang, Siping Energetic materials with fluorinated four-membered heterocyclic ring: 3,3′-difluoroazetidine (DFAZ) salts New Journal of Chemistry, 2019, 43, 15115 |
2232512 | CIF HKL Paper | C4 H5 N3 O2 | P b c a | 5.323; 12.664; 15.993 90; 90; 90 | 1078.1 | Diao, Ying; Wang, Wen-Yan; Wei, Zhi-Hua; Wang, Jian-Long 1-Methyl-5-nitro-1<i>H</i>-imidazole Acta Crystallographica Section E, 2011, 67, o3072 |
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