Crystallography Open Database

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Searching space group like 'P b c a'

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1530153 CIFO2.2 Ta2P b c a5.1; 5.1; 5.1
90; 90; 90		132.651Khitrova, 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 CIFAg F2P b c a5.073; 5.529; 5.813
90; 90; 90		163.047Fischer, 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 CIFAg F2P b c a5.568; 5.831; 5.101
90; 90; 90		165.614Mueller, 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 CIFHg O2P b c a6.08; 6.01; 4.8
90; 90; 90		175.396Vannerberg, N.G.
Formation and structure of mercuric peroxides
Arkiv foer Kemi, 1959, 13, 515-521
9014942 CIFNi PP b c a6.036; 4.8684; 6.8788
90; 90; 90		202.138Dera, 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 CIFNi PP b c a6.05; 4.881; 6.89
90; 90; 90		203.462Larsson, 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 CIFPd S2P b c a5.46; 5.541; 7.531
90; 90; 90		227.842Gronvold, F.; Rost, E.
The crystal structure of Pd Se2 and Pd S2
Acta Crystallographica (1,1948-23,1967), 1957, 10, 329-331
1539273 CIFPd Se2P b c a5.72; 5.8; 7.67
90; 90; 90		254.46Schubert, 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 2020-04-22O4 Si Zn2P b c a4.9236; 5.0143; 10.3174
90; 90; 90		254.72Kanzaki, 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 CIFO2 TiP b c a9.174; 5.449; 5.138
90; 90; 90		256.844Meagher, 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 CIFO2 TiP b c a9.184; 5.447; 5.145
90; 90; 90		257.38Wyckoff, R. W. G.
Second edition. Interscience Publishers, New York, New York
Crystal Structures, 1963, 1, 239-444
8104269 CIFO2 TiP b c a9.185; 5.447; 5.145
90; 90; 90		257.408Pauling, L.; Sturdivant, J.H.
The crystal structure of brookite
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1928, 68, 239-256
9004138 CIFO2 TiP b c a9.175; 5.459; 5.149
90; 90; 90		257.894Meagher, 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 CIFO2 TiP b c a9.191; 5.463; 5.157
90; 90; 90		258.935Meagher, 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 Se2P b c a5.7457; 5.8679; 7.6946
90; 90; 90		259.425C. 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 CIFO2 TiP b c a9.211; 5.472; 5.171
90; 90; 90		260.632Meagher, 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 CIFHf O2P b c a10.0172; 5.2276; 5.0598
90; 90; 90		264.961Ohtaka, 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 CIFC2 H2 O4P b c a6.4914; 6.0556; 7.802
90; 90; 90		306.69Bhattacharya, Suman
Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid
CrystEngComm, 2020
4116139 CIFC2 H2 O4P b c a6.4928; 6.06; 7.803
90; 90; 90		307.02Venkat 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 CIFC2 H2 O4P b c a6.5045; 6.064; 7.8072
90; 90; 90		307.94Bhattacharya, Suman
Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid
CrystEngComm, 2020
7241392 CIFC2 H2 O4P b c a6.5224; 6.0741; 7.8268
90; 90; 90		310.08Bhattacharya, Suman
Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid
CrystEngComm, 2020
4340531 CIFAs ZnP b c a5.6607; 7.2774; 7.5599
90; 90; 90		311.43Fischer, 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 CIFC2 H2 O4P b c a6.5399; 6.0841; 7.8385
90; 90; 90		311.89Bhattacharya, Suman
Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid
CrystEngComm, 2020
4340532 CIFAs ZnP b c a5.6731; 7.2754; 7.5572
90; 90; 90		311.916Fischer, 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 CIFC2 H2 O4P b c a6.5594; 6.094; 7.8524
90; 90; 90		313.88Venkat 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 CIFC2 H2 O4P b c a6.5678; 6.0983; 7.8715
90; 90; 90		315.27Bhattacharya, Suman
Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid
CrystEngComm, 2020
2310655 CIFH2 O4 UP b c a5.635; 6.285; 9.919
90; 90; 90		351.291Roof, 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 CIFCa1.8 O4 Ru Sr0.2P b c a5.3304; 5.319; 12.4094
90; 90; 90		351.836Friedt, 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 CIFH2 O4 UP b c a5.6438; 6.2867; 9.9372
90; 90; 90		352.581Taylor, 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 CIFCa1.9 O4 Ru Sr0.1P b c a5.4207; 5.4802; 11.9395
90; 90; 90		354.681Friedt, 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 CIFCa2 O4 RuP b c a5.3945; 5.5999; 11.7653
90; 90; 90		355.414Friedt, 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 CIFO3P b c a7.7888; 6.6973; 6.8413
90; 90; 90		356.87Marx, R.; Ibberson, R. M.
Powder diffraction study on solid ozone
Solid State Sciences, 2001, 3, 195-202
9008125 CIFO2 TeP b c a12.035; 5.464; 5.607
90; 90; 90		368.712Beyer, H.
Verfeinerung der kristallstruktur von tellurit, dem rhomischen TeO2
Zeitschrift fur Kristallographie, 1967, 124, 228-237
2108209 CIFC4 H4 O4P b c a4.7321; 6.9298; 11.2798
90; 90; 90		369.89Hutchison, 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 CIFC4 H4 O4P b c a4.7757; 6.993; 11.3384
90; 90; 90		378.66Hutchison, 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 CIFAs2 NiP b c a5.753; 5.799; 11.407
90; 90; 90		380.556Fleet, M. E.
The crystal structure of pararammelsbergite (NiAs2)
American Mineralogist, 1972, 57, 1-9
9012410 CIFAs2 NiP b c a5.77; 5.838; 11.419
90; 90; 90		384.652Stassen, W. N.; Heyding, R. D.
Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2
Canadian Journal of Chemistry, 1968, 46, 2159-2163
9003426 CIFMg O3 SiP b c a14.074; 6.928; 4
90; 90; 90		390.019Thompson, 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 CIFSb ZnP b c a6.218; 7.741; 8.115
90; 90; 90		390.604Wyckoff, R. W. G.
Second edition. Interscience Publishers, New York, New York
Crystal Structures, 1963, 1, 85-237
2108207 CIFC4 H4 O4P b c a4.8571; 7.1033; 11.4462
90; 90; 90		394.91Hutchison, 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 CIFMg O3 SiP b c a14.58; 6.928; 4
90; 90; 90		404.041Thompson, 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 CIFCo S SbP b c a5.842; 5.951; 11.666
90; 90; 90		405.577Rowland, 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 CIFC4 H4 O4P b c a4.9209; 7.1818; 11.5243
90; 90; 90		407.28Hutchison, 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 CIFC D2 N2P b c a6.559; 9.169; 6.775
90; 90; 90		407.44Torrie, B. H.; Vondreele, R.; Larson, A. C.
Structure of solid cyanamide at 13-K
Molecular Physics, 1992, 76, 405-410
1525682 CIFO3 Rh2P b c a5.1477; 5.4425; 14.6977
90; 90; 90		411.776Biesterbos, 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 CIFAl H3 O3P b c a8.6857; 5.0521; 9.4954
90; 90; 90		416.668Liu, 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 CIFHg O6 V2P b c a14.4557; 5.8975; 4.9371
90; 90; 90		420.9Mormann, 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 CIFHg O6 V2P b c a14.43; 5.984; 4.925
90; 90; 90		425.269Angenault, 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 H6P b c a7.221; 9.05; 6.59
90; 90; 90		430.7Budzianowski, Armand; Katrusiak, Andrzej
Pressure-frozen benzene I revisited
Acta Crystallographica Section B, 2006, 62, 94-101
2108205 CIFC4 H4 O4P b c a5.1174; 7.3666; 11.7174
90; 90; 90		441.72Hutchison, 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 H6P b c a7.287; 9.2; 6.688
90; 90; 90		448.4Budzianowski, Armand; Katrusiak, Andrzej
Pressure-frozen benzene I revisited
Acta Crystallographica Section B, 2006, 62, 94-101
9008881 CIFCd SbP b c a6.471; 8.253; 8.526
90; 90; 90		455.332Wyckoff, R. W. G.
Second edition. Interscience Publishers, New York, New York
Crystal Structures, 1963, 1, 85-237
2100350 CIF
Paper		C6 H6P b c a7.243; 9.31; 6.756
90; 90; 90		455.6Budzianowski, Armand; Katrusiak, Andrzej
Pressure-frozen benzene I revisited
Acta Crystallographica Section B, 2006, 62, 94-101
1536208 CIFPt Sb SiP b c a6.3128; 6.3347; 11.3945
90; 90; 90		455.663Wang, M.; Morgan, M.G.; Mar, A.
Platinum silicon antimonide (Pt Si Sb)
Journal of Solid State Chemistry, 2003, 175, 231-236
1532133 CIFH3 Na O2P b c a11.96; 6.221; 6.134
90; 90; 90		456.389Rustad, 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 CIFC4 H4 O4P b c a5.2399; 7.4388; 11.7763
90; 90; 90		459.02Hutchison, 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 CIFPt Si TeP b c a6.119; 6.2; 12.379
90; 90; 90		469.632Mansuetto, 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 P2P b c a5.3014; 6.2319; 14.2427
90; 90; 90		470.55Naumov, 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 P2P b c a5.3259; 6.272; 14.259
90; 90; 90		476.31Naumov, 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 CIFC6 H6P b c a7.3801; 9.5154; 6.9029
90; 90; 90		484.75Katrusiak, 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 CIFC2 F4 S2P b c a7.814; 5.7599; 10.8324
90; 90; 90		487.54nayak, 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 O2P b c a7.2155; 6.2725; 10.828
90; 90; 90		490.07Rychlewska, 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 CIFBi2 Mo O6P b c a5.506; 16.226; 5.487
90; 90; 90		490.211Pertlik, F.; Zemann, J.
Neubestimmung der Kristallstruktur des Koechlinits
Fortschritte der Mineralogie, Beiheft, 1982, 60, 162-163
7202527 CIFBi2 Nb O6P b c a5.428; 5.4261; 16.6564
90; 90; 90		490.6McCabe, 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 CIFAs Na O2P b c a14.314; 6.779; 5.086
90; 90; 90		493.518Menary, 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 O2P b c a6.7762; 5.0901; 14.3098
90; 90; 90		493.57Lee, 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 CIFC6 H6P b c a6.914; 7.476; 9.563
90; 90; 90		494.3Nayak, 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 CIFB Ca Li O3P b c a13.227; 6.1675; 6.062
90; 90; 90		494.523Xu, 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 PdP b c a8.154; 8.1482; 7.7945
90; 90; 90		517.87Kirik, 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 CIFCl2 H6 N2 PdP b c a8.1513; 8.1513; 7.7971
90; 90; 90		518.068Kirik, 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 CIFAg N O3P b c a6.995; 7.328; 10.118
90; 90; 90		518.642Trotter, 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 CIFB Be2 H O4P b c a9.75; 12.204; 4.429
90; 90; 90		527Zachariasen, 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 CIFB Be2 F0.04 H0.96 O3.96P b c a9.762; 12.201; 4.43
90; 90; 90		527.64Gatta, 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 CIFB Be2 H O4P b c a9.776; 12.194; 4.43
90; 90; 90		528.094Burns, 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 CIFB Be2 H O4P b c a9.654; 12.347; 4.4364
90; 90; 90		528.81Burns, 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 CIFB Be2 H O4P b c a9.678; 12.313; 4.439
90; 90; 90		528.974Burns, 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 CIFB Be2 H O4P b c a9.754; 12.231; 4.434
90; 90; 90		528.981Burns, 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 CIFC Cu N SP b c a10.994; 7.224; 6.662
90; 90; 90		529.1Kabesova, 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 CIFC2 H2 N4 S2P b c a5.979; 7.217; 12.281
90; 90; 90		529.9Moock, 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 CIFB Be2 H O4P b c a9.663; 12.364; 4.44
90; 90; 90		530.462Burns, 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 CIFI2 O6 PdP b c a5.839; 6.037; 15.071
90; 90; 90		531.3Chuan-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 CIFO3 Se ZnP b c a7.188; 6.225; 11.976
90; 90; 90		535.87Bensch, 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 O2P b c a8.7138; 6.6714; 9.3162
90; 90; 90		541.58Yang, 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 CIFO7 P2 ZrP b c a8.245; 8.245; 8.245
90; 90; 90		560.495Chaunac, M.
Etude cristallographique du pyrophosphate de zirconium
Bulletin de la Societe Chimique de France (Vol=Year), 1971, 1971, 424-429
7209398 CIFAu Sn2P b c a6.898; 7.011; 11.773
90; 90; 90		569.364Wu, 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 CIFC2 H6 N4 O4P b c a10.67; 8.67; 6.16
90; 90; 90		569.85Llewellyn, F. J.; Whitmore, F. E.
The crystal structure of s-bisnitroaminoethane (ethylene dinitroamine)
Journal of the Chemical Society, 1948, 1316-1323
1510306 CIFAu Sn2P b c a6.909; 7.037; 11.789
90; 90; 90		573.165Schubert, 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 PdP b c a8.4315; 8.4206; 8.0916
90; 90; 90		574.49Kirik, 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 CIFB2 Cl4P b c a11.9; 6.281; 7.69
90; 90; 90		574.781Atoji, M.; Wheatley, P.J.; Lipscomb, W.N.
Molecular Structure of Diborane Tetrachloride, B2 Cl4
Journal of Chemical Physics, 1955, 23, 1176-1176
1527685 CIFO7 Tc2P b c a13.756; 7.439; 5.617
90; 90; 90		574.793Krebs, B.
Technetium(VII)-oxid: Ein Uebergangsmetalloxid mit Molekuelstruktur im festen Zustand
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1971, 380, 146-159
1528556 CIFO3 Te ZnP b c a7.36; 6.38; 12.32
90; 90; 90		578.508Hanke, K.
Zinktellurit: Kristallstruktur und Beziehungen zu einigen Seleniten
Naturwissenschaften, 1967, 54, 199-199
4344131 CIFB D3 F3 NP b c a7.979; 7.925; 9.1956
90; 90; 90		581.471Penner, 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 CIFB F3 H3 NP b c a8.0067; 7.9511; 9.2216
90; 90; 90		587.07Mebs, 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 ZnP b c a12.65365; 6.96095; 6.71431
90; 90; 90		591.41Saul 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 CIFCa Mn2 O4P b c a6.2545; 9.8995; 9.627
90; 90; 90		596.069Zouari, 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 CIFB F3 H3 NP b c a8.0726; 8.0048; 9.2431
90; 90; 90		597.285Goebbels, 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 ZnP b c a12.67156; 6.99321; 6.77444
90; 90; 90		600.32Saul 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 CIFC6 H4 S SeP b c a9.9543; 5.9678; 10.1404
90; 90; 90		602.39Mishra, 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 O4P b c a6.5065; 7.2634; 12.772
90; 90; 90		603.6Taheri, 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 CIFB H5 N NaP b c a5.6446; 7.425; 14.514
90; 90; 90		608.3David 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 CIFCl2 YbP b c a13.18; 6.96; 6.7
90; 90; 90		614.61Beck, 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 CIFB H4 Li O4P b c a7.9362; 8.522; 9.1762
90; 90; 90		620.61Fronczek, 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 CIFB F3 H3 NP b c a8.22; 8.11; 9.31
90; 90; 90		620.644Hoard, 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 CIFC H N5P b c a8.177; 6.835; 11.13
90; 90; 90		622.1Thomas 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 CIFH4 N2 O8 PdP b c a5.0036; 10.6073; 11.7223
90; 90; 90		622.2Laligant, Y; Ferey, G; Le Bail, A
Crystal structure of Pd (N O3)2 (H2 O)2
Materials Research Bulletin, 1991, 26, 269-275
1542044 CIFB H4 Li O4P b c a9.169; 7.958; 8.548
90; 90; 90		623.721Kutschabsky, 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 CIFC2 H Cd O3P b c a6.8958; 5.8147; 15.8331
90; 90; 90		634.86Zheng, 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 CIFC2 H2 Cl NP b c a7.7821; 7.0635; 11.62
90; 90; 90		638.7Olejniczak, Anna; Katrusiak, Andrzej
Structure‒property relations in chloroacetonitriles
CrystEngComm, 2011, 13, 5212
2300266 CIFC D7 N OP b c a11.0386; 7.65471; 7.58467
90; 90; 90		640.88Fortes, 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 CIFC D7 N OP b c a11.0232; 7.66076; 7.59127
90; 90; 90		641.053Fortes, 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 2020-04-22O4 Si Zn2P b c a10.8823; 9.7025; 6.0886
90; 90; 90		642.868Kanzaki, M.
High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 IV structure at 0 K)
To be published
1530246 CIFCa0.46 Cl2 Sr0.54P b c a13.421; 7.053; 6.817
90; 90; 90		645.286Lasocha, 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 CIFO4 Si Zn2P b c a10.9179; 9.6728; 6.1184
90; 90; 90		646.14Liu, 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 CIFC3 H4 OP b c a6.97; 9.514; 9.752
90; 90; 90		646.7Day, 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 O2P b c a5.0283; 8.0427; 16.03
90; 90; 90		648.27Mamak, 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 CIFLa O4 TaP b c a7.82857; 11.21789; 7.46427
90; 90; 90		655.512Nyman, 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 NP b c a5.0741; 9.7594; 13.305
90; 90; 90		658.87Lozano-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 O2P b c a6.945; 5.542; 17.238
90; 90; 90		663.48Zai, De-Xin
1,4-Dibromobutane-2,3-dione
Acta Crystallographica Section E, 2012, 68, o3245
7219430 CIFC3 H7 N O2P b c a9.1235; 12.78; 5.7014
90; 90; 90		664.8Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.
β-Alanine under pressure: towards understanding the nature of phase transitions
CrystEngComm, 2015, 17, 2074
2300268 CIFC D7 N OP b c a11.20962; 7.74564; 7.6781
90; 90; 90		666.66Fortes, 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 CIFC D7 N OP b c a11.21169; 7.74663; 7.68077
90; 90; 90		667.096Fortes, 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 a10.0077; 11.921; 5.5978
90; 90; 90		667.828Philippe 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 CIFC6 H4 B2 O4P b c a10.416; 5.2697; 12.231
90; 90; 90		671.3Aldridge, 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 PdP b c a8.8347; 8.841; 8.6081
90; 90; 90		672.36Kirik, 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 CIFAg Cu O4 PP b c a7.5; 15.751; 5.702
90; 90; 90		673.592Oumba, 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 CIFB Cl Mg2 N2P b c a6.6139; 9.766; 10.6
90; 90; 90		684.668Somer, 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 CIFC H4 N S ZnP b c a17.26305; 6.39336; 6.20451
90; 90; 90		684.785Ouyang, 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 CIFC2 Ba2 Co F2 O6P b c a6.6226; 11.494; 9.021
90; 90; 90		686.68Ben 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 CIFC3 H4 OP b c a7.134; 9.694; 9.93
90; 90; 90		686.7Thakur, 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 CIFC3 H7 N O2P b c a9.431; 12.826; 5.6952
90; 90; 90		688.9Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.
β-Alanine under pressure: towards understanding the nature of phase transitions
CrystEngComm, 2015, 17, 2074
7231972 CIFC2 H2 N8 O4P b c a9.4039; 7.8696; 9.4732
90; 90; 90		701.1Zhang, 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 CIFC8 H10P b c a7.0594; 5.9531; 16.743
90; 90; 90		703.63Bond, 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 CIFAu O4 SP b c a8.549; 8.249; 10.011
90; 90; 90		705.983Wickleder, 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 ZnP b c a12.2842; 7.6537; 7.5151
90; 90; 90		706.57Saul 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 CIFCr2 Li4 N6 Sr2P b c a9.14; 7.3541; 10.5355
90; 90; 90		708.159Hochrein, 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 CIFCu2 S2 Sm2 Te2P b c a7.5195; 12.637; 7.5287
90; 90; 90		715.41Fu Qiang Huang; James A. Ibers
Syntheses, Structures, and Theoretical Study of LaCuSTe and SmCuSTe
Inorganic Chemistry, 1999, 38, 5978-5983
1523950 CIFH4 I2 Ni O8P b c a9.14986; 12.209; 6.58353
90; 90; 90		735.45Abrahams, 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 CIFD4 I2 Ni O8P b c a9.158; 12.206; 6.584
90; 90; 90		735.976Elemans, 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 CIFCe I SP b c a7.33; 7.05; 14.35
90; 90; 90		741.6Beck, 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 Fe14P b c a11.9698; 4.524; 13.7658
90; 90; 90		745.44Gromilov, 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 O2P b c a7.1757; 6.2769; 16.5573
90; 90; 90		745.76Iuliucci, 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 CIFC H3 N5 OP b c a9.8873; 5.5314; 13.6734
90; 90; 90		747.81Yin, 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 CIFFe O4 PP b c a9.171; 9.456; 8.675
90; 90; 90		752.3Song, 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 CIFFe O4 PP b c a8.6753; 9.1708; 9.4564
90; 90; 90		752.35Yanning 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 CIFC2 N2 SP b c a8.6; 6.85; 12.8
90; 90; 90		754.048Linke, K.H.; Lemmer, F.
Roentgenographische Cristallstrukturanalyse von Schwefeldicyanid
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1966, 345, 203-210
2310375 CIFC2 N2 SP b c a8.56; 6.87; 12.84
90; 90; 90		755.084Emerson, K.
The Crystal and Molecular Structure of Sulfur Dicyanide
Acta Crystallographica (1,1948-23,1967), 1966, 21, 970-974
4306092 CIFC2 N2 SeP b c a8.632; 6.847; 12.8151
90; 90; 90		757.4Thomas 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 CIFCa4 Mn2 O9.926 TiP b c a5.31411; 5.31148; 26.9138
90; 90; 90		759.663Battle, 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 CIFBi0.693 Ca3.093 Mn3 O10P b c a5.3398; 5.3419; 26.8336
90; 90; 90		765.42Sousa, 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 Si0.45P b c a10.385; 14.198; 5.1925
90; 90; 90		765.6Thompson, 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 CIFFe0.087 Mg0.913 O3 SiP b c a17.868; 8.491; 5.0565
90; 90; 90		767.158Zhang, 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 CIFGa Li5 O4P b c a9.173; 9.094; 9.202
90; 90; 90		767.624Stewner, F.; Hoppe, R.
Ueber 'Kationen-reiche' Oxide. Zur Kenntnis von Li5 Ga O4 und Li5 Al O4
Naturwissenschaften, 1968, 55, 297-297
2000122 CIFC6 D4 I2P b c a17; 7.323; 6.168
90; 90; 90		767.86Alcobé, 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 CIFC6 H16 N2P b c a6.94; 5.77; 19.22
90; 90; 90		769.64Binnie, W. P.; Robertson, J. M.
The crystal structure of hexamethylenediamine
Acta Crystallographica, 1950, 3, 424-429
2002893 CIF
Paper		Al1.75 Na1.75 O4 Si0.25P b c a10.416; 14.25; 5.2038
90; 90; 90		772.4Thompson, 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 CIFCa8 N16 Si8P b c a5.1229; 10.2074; 14.8233
90; 90; 90		775.13Zoltán 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 CIFMg O3 SiP b c a17.897; 8.575; 5.0664
90; 90; 90		777.524Periotto, 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 CIFFe Li5 O4P b c a9.218; 9.213; 9.159
90; 90; 90		777.832Luge, 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 CIFMg O3 SiP b c a17.916; 8.59; 5.0726
90; 90; 90		780.665Periotto, 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 O2P b c a7.434; 5.972; 17.603
90; 90; 90		781.5Jian-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 CIFMg O3 SiP b c a17.933; 8.595; 5.0766
90; 90; 90		782.477Periotto, 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 CIFMg O3 SiP b c a17.95; 8.604; 5.08
90; 90; 90		784.564Hugh-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 CIFMg O3 SiP b c a18.027; 8.683; 5.013
90; 90; 90		784.677Thompson, 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 O6P b c a7.566; 7.39; 14.04
90; 90; 90		785Liang, 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 CIFC H4 Mn N SeP b c a6.711; 6.614; 17.72
90; 90; 90		786.5Huang, 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 CIFAg N3 O4P b c a5.804; 9.7496; 13.9105
90; 90; 90		787.15Klapötke, 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 Si1.06P b c a10.487; 14.351; 5.243
90; 90; 90		789.1Withers, 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 CIFMg O3 SiP b c a17.983; 8.6241; 5.0902
90; 90; 90		789.425Hugh-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 CIFMg O3 SiP b c a17.982; 8.633; 5.0926
90; 90; 90		790.568Periotto, 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 CIFAl0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848P b c a17.977; 8.61; 5.1227
90; 90; 90		792.902Nestola, 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 CIFCa0.07 Mg1.93 O6 Si2P b c a18.022; 8.6578; 5.085
90; 90; 90		793.417Nestola, 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 CIFMg O3 SiP b c a18.011; 8.652; 5.102
90; 90; 90		795.051Hugh-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 CIFAl0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94P b c a18; 8.642; 5.115
90; 90; 90		795.669Hugh-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 CIFMg O3 SiP b c a18.019; 8.668; 5.1073
90; 90; 90		797.703Periotto, 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 CIFAl0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848P b c a18.0221; 8.6456; 5.1327
90; 90; 90		799.736Nestola, 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 CIFMg O3 SiP b c a18.0455; 8.6708; 5.1119
90; 90; 90		799.853Hugh-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 CIFO3 Pb S2P b c a7.18; 6.9195; 16.1096
90; 90; 90		800.357Christensen, 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 CIFO3 Pb S2P b c a7.1801; 6.9197; 16.1154
90; 90; 90		800.68Christensen, 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 CIFFe0.41 Mg0.59 O3 SiP b c a18.035; 8.682; 5.1138
90; 90; 90		800.718Hugh-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 CIFAl0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94P b c a18.051; 8.6683; 5.1244
90; 90; 90		801.822Hugh-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 CIFMg O3 SiP b c a18.056; 8.692; 5.1192
90; 90; 90		803.421Periotto, 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 CIFMg O3 SiP b c a18.071; 8.6929; 5.1214
90; 90; 90		804.518Hugh-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 CIFBi Cr H O5P b c a11.311; 9.728; 7.314
90; 90; 90		804.784Aurivillius, 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 CIFFe0.41 Mg0.59 O3 SiP b c a18.0665; 8.706; 5.1236
90; 90; 90		805.875Hugh-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 CIFC H4 Cd N SeP b c a7.09494; 6.79535; 16.7212
90; 90; 90		806.17Xiaoying 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 CIFAl0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94P b c a18.077; 8.6907; 5.1349
90; 90; 90		806.702Hugh-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 Si2P b c a8.104; 9.975; 9.986
90; 90; 90		807.2Mitzel, N. W.; Riede, J.; Schmidbaur, H.
1,4-Dibromo-1,4-disilabutane
Acta Crystallographica Section C, 1996, 52, 980-982
9004032 CIFCa0.07 Mg1.93 O6 Si2P b c a18.108; 8.7215; 5.12
90; 90; 90		808.596Nestola, 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 CIFC2 H5 N5P b c a5.3783; 11.086; 13.58
90; 90; 90		809.7Konovalova, 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 CIFAl H4 O6 PP b c a9.822; 8.561; 9.63
90; 90; 90		809.75Kniep, R.; Mootz, D.; Vegas, A.
Variscite
Acta Crystallographica, Section B, 1977, 33, 263-265
9006433 CIFFe0.41 Mg0.59 O3 SiP b c a18.0912; 8.724; 5.1315
90; 90; 90		809.892Hugh-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 CIFMg O3 SiP b c a18.1045; 8.7181; 5.1327
90; 90; 90		810.129Hugh-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 CIFCd N6P b c a7.82; 6.46; 16.04
90; 90; 90		810.3Bassiere, 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 CIFCa0.07 Mg1.93 O6 Si2P b c a18.093; 8.75; 5.127
90; 90; 90		811.675Nestola, 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 CIFMg O3 SiP b c a18.105; 8.734; 5.1376
90; 90; 90		812.404Periotto, 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 CIFAl0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94P b c a18.115; 8.7184; 5.1472
90; 90; 90		812.917Hugh-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 CIFC3 Ag N O4P b c a7.6945; 6.9868; 15.1284
90; 90; 90		813.3Milašinović, Valentina; Molčanov, Krešimir
Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks
CrystEngComm, 2019, 21, 2962
7051247 CIFC10 H8 O2P b c a8.8316; 5.9003; 15.6123
90; 90; 90		813.54Laxmi 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 CIFC2 N2 SeP b c a8.71; 6.98; 13.41
90; 90; 90		815.272Linke, K.H.; Lemmer, F.
Roentgenographische Kristallstrukturanalyse von Selenidcyanid
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1966, 345, 211-216
9006432 CIFFe0.41 Mg0.59 O3 SiP b c a18.124; 8.754; 5.144
90; 90; 90		816.134Hugh-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 CIFMg O3 SiP b c a18.148; 8.756; 5.1493
90; 90; 90		818.244Hugh-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 CIFFe0.41 Mg0.59 O3 SiP b c a18.1418; 8.7682; 5.1495
90; 90; 90		819.136Hugh-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 CIFAl0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94P b c a18.16; 8.7503; 5.1606
90; 90; 90		820.047Hugh-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 CIFAl0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848P b c a18.1427; 8.746; 5.1716
90; 90; 90		820.609Nestola, 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 CIFCu K O4 PP b c a17.94; 6.742; 6.795
90; 90; 90		821.865Effenberger, H.
Synthese und Kristallstruktur des rhombischen Kalium-kupfer(II)-phosphates K Cu P O4
Zeitschrift fuer Kristallographie (149,1979-), 1984, 168, 113-119
9014860 CIFMg O3 SiP b c a18.158; 8.78; 5.1574
90; 90; 90		822.23Periotto, 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 CIFCa0.07 Mg1.93 O6 Si2P b c a18.201; 8.768; 5.154
90; 90; 90		822.508Nestola, 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 CIFH6 N2 O3 SP b c a7.443; 7.739; 14.281
90; 90; 90		822.605Cain, B. E.; Kanda, F. A.
The crystal structure of ammonium sulfamate
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1972, 135, 253-261
9010241 CIFAl0.23 Mg0.874 O3 Si0.875P b c a18.1876; 8.7352; 5.1789
90; 90; 90		822.784Smyth, 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 CIFMg O3 SiP b c a18.186; 8.782; 5.161
90; 90; 90		824.26Hugh-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 PP b c a8.977; 9.186; 10.003
90; 90; 90		824.9Janicki, Rafał; Starynowicz, Przemysław
Charge density distribution in aminomethylphosphonic acid
Acta Crystallographica Section B, 2010, 66, 559-567
2022057 CIFC H6 N O3 PP b c a8.977; 9.186; 10.003
90; 90; 90		824.9Jha, 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 CIFFe0.41 Mg0.59 O3 SiP b c a18.174; 8.7953; 5.1608
90; 90; 90		824.932Hugh-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 CIFAl0.088 Mg0.956 O3 Si0.956P b c a18.1991; 8.78; 5.1666
90; 90; 90		825.561Ganguly, J.; Ghose, S.
Aluminous orthopyroxene: Order-disorder, thermodynamic properties, and petrologic implications
Contributions to Mineralogy and Petrology (23,1969-), 1979, 69, 375-385
9006437 CIFAl0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94P b c a18.189; 8.7765; 5.1723
90; 90; 90		825.684Hugh-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 CIFC4 H4 N8 O4P b c a9.082; 5.4849; 16.575
90; 90; 90		825.7Li, 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 CIFC2 H5 Cl ZnP b c a6.3802; 5.9324; 21.8428
90; 90; 90		826.75Guerrero, Antonio; Hughes, David L.; Bochmann, Manfred
Synthesis and Crystal Structure of Ethyl Zinc Chloride
Organometallics, 2006, 25, 1525-1527
9004098 CIFC Ca O5 TeP b c a6.988; 11.201; 10.566
90; 90; 90		827.028Fischer, R.; Pertlik, F.; Zemann, J.
The crystal structure of mroseite, CaTeO2(CO3)
The Canadian Mineralogist, 1975, 13, 383-387
7219427 CIFC3 H7 N O2P b c a9.8829; 13.787; 6.0816
90; 90; 90		828.7Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.
β-Alanine under pressure: towards understanding the nature of phase transitions
CrystEngComm, 2015, 17, 2074
9015809 CIFMg O3 SiP b c a18.204; 8.81; 5.1731
90; 90; 90		829.648Periotto, 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 CIFFe0.41 Mg0.59 O3 SiP b c a18.197; 8.82; 5.171
90; 90; 90		829.933Hugh-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 N2P b c a6.4084; 6.4989; 19.948
90; 90; 90		830.8Zhang, 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 CIFMg O3 SiP b c a18.21; 8.812; 5.178
90; 90; 90		830.896Morimoto, N.; Koto, K.
The crystal structure of orthoenstatite
Zeitschrift fur Kristallographie, 1969, 129, 65-83
1537228 CIFAl0.06 Fe0.096 Mg0.854 O3 Si0.97P b c a18.2248; 8.7822; 5.1927
90; 90; 90		831.112Ganguly, J.; Ghose, S.
Aluminous orthopyroxene: Order-disorder, thermodynamic properties, and petrologic implications
Contributions to Mineralogy and Petrology (23,1969-), 1979, 69, 375-385
9004117 CIFMg O3 SiP b c a18.216; 8.813; 5.179
90; 90; 90		831.424Hawthorne, 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 CIFMg O3 SiP b c a18.21; 8.82; 5.1767
90; 90; 90		831.441Periotto, 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 CIFC4 H3 F2 NP b c a5.5515; 11.017; 13.597
90; 90; 90		831.6Leroy, 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 CIFMg O3 SiP b c a18.225; 8.8128; 5.18
90; 90; 90		831.977Ohashi, 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 Si1.93P b c a5.1815; 18.2321; 8.8085
90; 90; 90		832.14Glazyrin, 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 CIFMg O3 SiP b c a18.227; 8.819; 5.179
90; 90; 90		832.493Sasaki, 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 CIFMg O3 SiP b c a18.233; 8.8191; 5.1802
90; 90; 90		832.969Hugh-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 CIFMg O3 SiP b c a18.363; 8.864; 5.118
90; 90; 90		833.055Thompson, 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 CIFAl0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94P b c a18.231; 8.8095; 5.1873
90; 90; 90		833.111Hugh-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 CIFCa Cr H2 O5P b c a8.014; 8.147; 12.761
90; 90; 90		833.166Bars, 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 CIFFe0.155 Mg0.845 O3 SiP b c a18.15999; 8.84; 5.19
90; 90; 90		833.2Takané, Katsutashi
Crystal Structure of Bronzite from Chichi-jiama in the Bonin Islands
Proceedings of the Imperial Academy (Tokyo), 1932, 8, 308-311
8103871 CIFAg B F4 H2 OP b c a7.966; 7.794; 13.42
90; 90; 90		833.208Ludwig, W.; Wartchow, R.
Crystal structure of silver tetrafluoroborate monohydrate, Ag (B F4) (H2 O)
Zeitschrift fuer Kristallographie (149,1979-), 1996, 211, 631-631
1000047 CIFMg2 O6 Si2P b c a18.25099; 8.814; 5.181
90; 90; 90		833.4Yang, 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 CIFMg O3 SiP b c a18.251; 8.814; 5.181
90; 90; 90		833.438Yang, 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 CIFMg O3 SiP b c a18.363; 8.867; 5.119
90; 90; 90		833.5Thompson, 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 CIFAl0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848P b c a18.2192; 8.8111; 5.1965
90; 90; 90		834.2Nestola, 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 O2P b c a5.3145; 10.6234; 14.7782
90; 90; 90		834.35Villafuerte-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 CIFFe0.105 Mg0.895 O3 SiP b c a18.244; 8.805; 5.196
90; 90; 90		834.677Molin, 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 CIFFe0.105 Mg0.895 O3 SiP b c a18.244; 8.805; 5.196
90; 90; 90		834.677Molin, 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 CIFAl0.03 Fe0.15 Mg1.82 O6 Si1.97P b c a18.2429; 8.8171; 5.1894
90; 90; 90		834.712Gatta, 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 CIFFe0.106 Mg0.893 O3 SiP b c a18.242; 8.803; 5.198
90; 90; 90		834.717Molin, 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 CIFMg O3 SiP b c a18.211; 8.81; 5.203
90; 90; 90		834.764Lindemann, W.
Beitrag zur Enstatitstruktur (Verfeinerung der Parameterwerte )
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1961, 1961, 226-233
9001208 CIFFe0.106 Mg0.894 O3 SiP b c a18.241; 8.804; 5.198
90; 90; 90		834.766Molin, 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 CIFCd H3 N O5P b c a13.864; 8.708; 6.917
90; 90; 90		835.074Padeste, 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 CIFFe0.108 Mg0.893 O3 SiP b c a18.243; 8.808; 5.197
90; 90; 90		835.077Molin, 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 CIFGa H4 O6 PP b c a9.926; 8.6189; 9.7622
90; 90; 90		835.2Loiseau, 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 CIFMn2 O3P b c a9.4118; 9.4177; 9.4233
90; 90; 90		835.26Norrestam, 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 CIFFe0.106 Mg0.893 O3 SiP b c a18.246; 8.809; 5.197
90; 90; 90		835.309Molin, 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 CIFFe0.47 Li0.2 Mg1.33 O6 Si2P b c a18.2113; 8.8172; 5.205
90; 90; 90		835.781Camara, 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 CIFCo0.224 Mg0.776 O3 SiP b c a18.233; 8.836; 5.188
90; 90; 90		835.822Hawthorne, 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 CIFFe0.085 Mg0.915 O3 SiP b c a18.246; 8.828; 5.189
90; 90; 90		835.822Molin, 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 CIFCa0.07 Mg1.93 O6 Si2P b c a18.2588; 8.8229; 5.1899
90; 90; 90		836.07Nestola, 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 CIFFe0.086 Mg0.914 O3 SiP b c a18.248; 8.831; 5.189
90; 90; 90		836.197Molin, 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 CIFFe0.47 Li0.2 Mg1.33 O6 Si2P b c a18.2162; 8.8194; 5.2054
90; 90; 90		836.279Camara, 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 CIFFe0.084 Mg0.916 O3 SiP b c a18.25; 8.83; 5.19
90; 90; 90		836.356Molin, 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 CIFFe0.086 Mg0.914 O3 SiP b c a18.243; 8.834; 5.19
90; 90; 90		836.413Molin, 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 CIFFe0.086 Mg0.914 O3 SiP b c a18.25; 8.829; 5.191
90; 90; 90		836.422Molin, 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 CIFFe0.41 Mg0.59 O3 SiP b c a18.2351; 8.8492; 5.1839
90; 90; 90		836.505Hugh-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 CIFAl0.03 Fe0.15 Mg1.82 O6 Si1.97P b c a18.2513; 8.8274; 5.1929
90; 90; 90		836.636Gatta, 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 CIFFe0.087 Mg0.913 O3 SiP b c a18.248; 8.832; 5.192
90; 90; 90		836.776Molin, 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 CIFCa0.04 Mg1.96 O6 Si2P b c a18.262; 8.826; 5.192
90; 90; 90		836.849Nestola, 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 CIFAl0.196 Ca0.069 Fe0.409 Mg1.49 O6 Si1.85P b c a18.276; 8.819; 5.196
90; 90; 90		837.471Takeda, H.
Crystallographic Studies of Coexisting Aluminan Orthopyroxene and Augite of High-Pressure Origin
Journal of Geophysical Research, 1972, 77, 5798-5811
9004118 CIFCo0.132 Mg0.781 Mn0.087 O3 SiP b c a18.246; 8.839; 5.196
90; 90; 90		837.992Hawthorne, 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 CIFFe0.47 Li0.2 Mg1.33 O6 Si2P b c a18.2369; 8.8246; 5.2076
90; 90; 90		838.077Camara, 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 CIFMg0.925 Mn0.075 O3 SiP b c a18.27; 8.833; 5.195
90; 90; 90		838.363Hawthorne, 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 CIFFe0.3 Mg0.7 O3 SiP b c a18.2; 8.86; 5.2
90; 90; 90		838.5Warren, 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 CIFCa0.07 Mg1.93 O6 Si2P b c a18.268; 8.836; 5.196
90; 90; 90		838.718Nestola, 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 CIFCa0.052 Mg1.948 O6 Si2P b c a18.28; 8.834; 5.197
90; 90; 90		839.24Carlson, W. D.; Swinnea, J. S.; Miser, D. E.
Stability of orthoenstatite at high temperature and low pressure
American Mineralogist, 1988, 73, 1255-1263
8101551 CIFH2 N O3 Rb SP b c a7.427; 7.781; 14.523
90; 90; 90		839.3Schreuer, Jürgen
Crystal structure of rubidium sulfamate, RbH~2~NSO~3~
Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 305-305
4321475 CIFC H3 F2 I O2P b c a7.605; 7.36; 15.017
90; 90; 90		840.54Rolf Minkwitz; Michael Berkei; Marc Studentkowski; Ralf Ludwig
Crystal Structure of (Difluoro)methoxyoxo Iodine(V) IF2(O)OCH3
Inorganic Chemistry, 2000, 39, 4766-4768
9001641 CIFFe0.249 Mg0.751 O3 SiP b c a18.2747; 8.8729; 5.1988
90; 90; 90		842.983Yang, 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 CIFFe0.292 Mg0.709 O3 SiP b c a18.281; 8.8732; 5.207
90; 90; 90		844.633Jacob, 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 CIFFe0.292 Mg0.709 O3 SiP b c a18.281; 8.8732; 5.207
90; 90; 90		844.633Jacob, 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 CIFAl0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848P b c a18.2804; 8.8601; 5.2161
90; 90; 90		844.832Nestola, 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 CIFMg O6 Si2 ZnP b c a18.201; 8.916; 5.209
90; 90; 90		845.317Morimoto, 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 CIFAl0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848P b c a18.2889; 8.8662; 5.2175
90; 90; 90		846.034Nestola, 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 CIFAl0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848P b c a18.2889; 8.8662; 5.2175
90; 90; 90		846.034Nestola, 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 CIFCu0.564 Mg1.436 O6 Si2P b c a18.221; 8.89; 5.226
90; 90; 90		846.532Tachi, 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 CIFFe0.296 Mg0.704 O3 SiP b c a18.3022; 8.8816; 5.2082
90; 90; 90		846.608Jacob, 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 CIFFe0.296 Mg0.704 O3 SiP b c a18.3022; 8.8816; 5.2082
90; 90; 90		846.608Jacob, 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 CIFFe O3 SiP b c a18.311; 8.939; 5.181
90; 90; 90		848.037Hugh-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 CIFFe0.41 Mg0.59 O3 SiP b c a18.2974; 8.904; 5.2092
90; 90; 90		848.683Hugh-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 CIFCo O3 SiP b c a18.296; 8.923; 5.204
90; 90; 90		849.58Sasaki, 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 CIFC3 H4 N2 SP b c a9.5549; 5.8171; 15.2998
90; 90; 90		850.39Powner, 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 CIFMg O3 SiP b c a18.341; 8.889; 5.219
90; 90; 90		850.87Yang, 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 CIFAl0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002P b c a18.3559; 8.8741; 5.2256
90; 90; 90		851.209Stimpfl, 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 CIFCa0.043 Fe0.807 Mg1.15 O6 Si2P b c a18.316; 8.907; 5.218
90; 90; 90		851.268Domeneghetti, 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 CIFAl0.028 Ca0.036 Cr0.004 Fe0.795 Mg1.134 Mn0.026 O6 Si1.986 Ti0.005P b c a18.316; 8.907; 5.218
90; 90; 90		851.268Domeneghetti, 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 CIFFe0.44 Mg0.56 O3 SiP b c a18.312; 8.917; 5.217
90; 90; 90		851.874Hazen, 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 CIFAl0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002P b c a18.3668; 8.8725; 5.2289
90; 90; 90		852.099Stimpfl, 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 CIFCa0.043 Fe0.802 Mg1.155 O6 Si2P b c a18.32; 8.917; 5.219
90; 90; 90		852.573Domeneghetti, 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 CIFAl0.028 Ca0.036 Cr0.004 Fe0.801 Mg1.128 Mn0.026 O6 Si1.986 Ti0.005P b c a18.32; 8.917; 5.219
90; 90; 90		852.573Domeneghetti, 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 CIFAl0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002P b c a18.3645; 8.881; 5.2284
90; 90; 90		852.727Stimpfl, 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 CIFMg1.47 Mn0.53 O6 Si2P b c a18.384; 8.878; 5.226
90; 90; 90		852.952Petersen, 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 CIFAl0.003 Ca0.024 Mg1.433 Mn0.542 O6 Si1.997 Ti0.002P b c a18.3686; 8.8828; 5.2287
90; 90; 90		853.139Stimpfl, 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 CIFAl0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002P b c a18.3653; 8.8819; 5.2305
90; 90; 90		853.193Stimpfl, 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

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