Crystallography Open Database

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Searching space group like 'P c m n'

COD ID: 1001036
CIF file Formula: - Ba Ge0.5 O5 Si1.5 -
Comments: Goreaud, M; Choisnet, J; Raveau, B; Deschanvres, A Sur les silicogermanates Ba(Si~2-x~ Ge~x~) O~5~ isotypes de la sanbornite Revue de Chimie Minerale 11 (1974) 207-216
Space group: P c m n
Cell volume: 489.2
Cell parameters: 4.649; 7.739; 13.596; 90; 90; 90;  

COD ID: 1001331
CIF file Formula: - Cs O40 P8 W8 -
Comments: Goreaud, M; Labbe, P; Raveau, B Cs P~8~ W~8~ O~40~: A diphosphate tungsten bronze with octagonal tunnels Journal of Solid State Chemistry 56 (1985) 41-48
Space group: P c m n
Cell volume: 852.1
Cell parameters: 13.061; 12.319; 5.296; 90; 90; 90;  

COD ID: 1001772
CIF file Formula: - Ba O5 Si2 -
Comments: Goreaud, M; Choisnet, J; Raveau, B; Deschanvres, A Sur les silicogermanates Ba (Si2-x Gex) O5 isotypes de la sanbornite Revue de Chimie Minerale 11 (1974) 207-216
Space group: P c m n
Cell volume: 481.5
Cell parameters: 4.634; 7.69; 13.512; 90; 90; 90;  

COD ID: 1008124
CIF file Formula: - Al2 Ca4 Fe2 O10 -
Comments: Bertaut, E F; Blum, P; Sagnieres, A Structure du Ferrite Bicalcique et de la Brownmillerite Acta Crystallographica (1,1948-23,1967) 12 (1959) 149-159
Space group: P c m n
Cell volume: 432.1
Cell parameters: 5.58; 14.5; 5.34; 90; 90; 90;  

COD ID: 1008777
CIF file Formula: - Ca2 Fe2 O5 -
Comments: Bertaut, F; Blum, P; Sagnieres, A La structure du ferrite dicalcique et de la Brownmillerite. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 244 (1957) 2944-2946
Space group: P c m n
Cell volume: 446.3
Cell parameters: 5.64; 14.68; 5.39; 90; 90; 90;  

COD ID: 1008778
CIF file Formula: - Ca2 Fe2 O5 -
Comments: Bertaut, F; Blum, P; Sagnieres, A La structure du ferrite dicalcique et de la brownmillerite, aussi bien que 'Errata'. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 246 (1958) 658-658
Space group: P c m n
Cell volume: 446.3
Cell parameters: 5.64; 14.68; 5.39; 90; 90; 90;  

COD ID: 1009033
CIF file Formula: - Ca2 Fe2 O5 -
Comments: Bertaut, E F; Blum, P; Sagnieres, A Structure du ferrite bicalcique et de la brownmillerite Acta Crystallographica (1,1948-23,1967) 12 (1959) 149-159
Space group: P c m n
Cell volume: 446.3
Cell parameters: 5.64; 14.68; 5.39; 90; 90; 90;  

COD ID: 1520830
CIF file Formula: - Ca2 Fe2 O5 -
Comments: Berastegui, P.; Hull, S.; Eriksson, S.G. A neutron diffraction study of the temperature dependence of Ca2 Fe2 O5 Materials Research Bulletin 34 (1999) 303-314
Space group: P c m n
Cell volume: 450.492
Cell parameters: 5.5946; 14.8273; 5.4307; 90; 90; 90;  

COD ID: 1521319
CIF file Formula: - Cs Li O4 S -
Comments: Mestres, L.; Simkin, V.G.; Baccali, A.; Martinez-Sarrion, M.L.; Smirnov, L.S.; Balagurov, A.M. X-ray and neutron powder diffraction studies of phase transitions in Li Cs S O4 Kristallografiya 44 (1999) 83-88
Space group: P c m n
Cell volume: 453.333
Cell parameters: 9.4444; 5.4493; 8.8085; 90; 90; 90;  

COD ID: 1527610
CIF file Formula: - Nb0.9 S -
Comments: Kadijk, F.; Jellinek, F. The system niobium-sulfur Journal of the Less-Common Metals 19 (1969) 421-430
Space group: P c m n
Cell volume: 124.64
Cell parameters: 5.845; 3.334; 6.396; 90; 90; 90;  

COD ID: 1528768
CIF file Formula: - Ge Se -
Comments: Okazaki, A. The crystal structure of germanium selenide = Ge Se Journal of the Physical Society of Japan 13 (1958) 1151-1155
Space group: P c m n
Cell volume: 180.534
Cell parameters: 4.38; 3.82; 10.79; 90; 90; 90;  

COD ID: 1529927
CIF file Formula: - Cl Co Cr H24 N6 O7 -
Comments: Figgis, B.N.; Skelton, B.W.; White, A.H. Crystal structure of Hexaamminecobalt(III) Chloride chromate trihydrate Australian Journal of Chemistry 32 (1979) 417-419
Space group: P c m n
Cell volume: 1339.35
Cell parameters: 8.594; 8.598; 18.126; 90; 90; 90;  

COD ID: 1529982
CIF file Formula: - I K -
Comments: Gerken, V.A.; Pakhomov, V.I. Roentgenographical study of crystals in system K I-Hg I2-H2 O Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 10(4) (1969) 753-754
Space group: P c m n
Cell volume: 315.845
Cell parameters: 9.3; 5.29; 6.42; 90; 90; 90;  

COD ID: 1530212
CIF file Formula: - Cs Li O4 S -
Comments: Kruglik, A.I.; Simonov, M.A.; Zhelezin, E.P.; Belov, N.V. Crystal structures of phases I and III of cesium lithium sulfate Doklady Akademii Nauk SSSR 247 (1979) 1384-1387
Space group: P c m n
Cell volume: 455.041
Cell parameters: 9.456; 5.456; 8.82; 90; 90; 90;  

COD ID: 1532747
CIF file Formula: - Ca O3 Zr -
Comments: Levin, I.; Amos, T.G.; Toby, B.H.; Roth, R.S.; Vanderah, T.A.; Bell, S.M.; Farber, L. Phase equilibria, crystal structures and dielectric anomaly in the (Ba Zr O3) - (Ca Zr O3) system Journal of Solid State Chemistry 175 (2003) 170-181
Space group: P c m n
Cell volume: 257.45
Cell parameters: 5.58305; 8.00703; 5.75904; 90; 90; 90;  

COD ID: 1533418
CIF file Formula: - Br3 H8 O4 Tl -
Comments: Glaser, J. Crystal and Molecular Structure of Thallium(III) Bromide Tetrahydrate and Thallium(III) Chloride Tetrahydrate, a Redetermination Acta Chemica Scandinavica, Series A: (28,1974-) 33 (1979) 789-794
Space group: P c m n
Cell volume: 941.812
Cell parameters: 6.71; 11.006; 12.753; 90; 90; 90;  

COD ID: 1533421
CIF file Formula: - Cl3 H8 O4 Tl -
Comments: Glaser, J. Crystal and Molecular Structure of Thallium(III) Bromide Tetrahydrate and Thallium(III) Chloride Tetrahydrate, a Redetermination Acta Chemica Scandinavica, Series A: (28,1974-) 33 (1979) 789-794
Space group: P c m n
Cell volume: 854.255
Cell parameters: 6.503; 10.673; 12.308; 90; 90; 90;  

COD ID: 1534956
CIF file Formula: - Li Na5 O8 P2 -
Comments: Malinovskii, Yu.A.; Genkina, E.A. Crystal structure of olympite Li Na5 (P O4)2. Kristallografiya 37 (1992) 1429-1436
Space group: P c m n
Cell volume: 1526.24
Cell parameters: 10.143; 14.819; 10.154; 90; 90; 90;  

COD ID: 1535061
CIF file Formula: - Bi Cl Cu3 O8 Te2 -
Comments: Becker, R.; Mats, J. Crystal structure of Cu3 Bi (Te O3)2 O2 Cl: a Kagome lattice type compound Solid State Sciences 7 (2005) 375-380
Space group: P c m n
Cell volume: 901.374
Cell parameters: 6.3719; 9.8524; 14.358; 90; 90; 90;  

COD ID: 1538805
CIF file Formula: - Pd Sn -
Comments: Nowotny, H.; Schubert, K.; Dettinger, U. Zur Kenntnis des Aufbaus und der Kristallchemie einiger Edel- metallsysteme (Pd-Pb, Pd-Sn, Ir-Sn, Rh-Sn, Pt-Pb) Zeitschrift fuer Metallkunde 37 (1946) 137-145
Space group: P c m n
Cell volume: 149.062
Cell parameters: 6.31; 3.86; 6.12; 90; 90; 90;  

COD ID: 2002208
CIF file Formula: - Ca2 Fe Ga O5 -
Comments: Arpe, R; Schenck, R von; Mueller-Buschbaum, Hk Zur Kenntnis von Ca2 Fe Ga O5, ein Beitrag zur Kristallchemie von (M2+)2 (Me3+)2 O5 -Verbindungen Zeitschrift fuer Anorganische und Allgemeine Chemie 410 (1974) 97-103
Space group: P c m n
Cell volume: 443.3
Cell parameters: 5.603; 14.691; 5.386; 90; 90; 90;  

COD ID: 2002209
CIF file Formula: - Ba2 O5 Tl2 -
Comments: Schenck, R von; Mueller-Buschbaum, Hk Darstellung und Kristallstruktur von Ba2 Tl2 O5 Zeitschrift fuer Anorganische und Allgemeine Chemie 405 (1974) 197-201
Space group: P c m n
Cell volume: 654
Cell parameters: 6.264; 17.258; 6.05; 90; 90; 90;  

COD ID: 2002228
CIF file Formula: - Ca2 Fe0.5 Ga1.5 O5 -
Comments: Arpe, R; Schenck, R von; Mueller-Buschbaum, Hk Zur Kenntnis von Ca2 Fe Ga O5, ein Beitrag zur Kristallchemie von (M2+)2 (Me3+)2 O5 -Verbindungen Zeitschrift fuer Anorganische und Allgemeine Chemie 410 (1974) 97-103
Space group: P c m n
Cell volume: 441.5
Cell parameters: 5.597; 14.654; 5.383; 90; 90; 90;  

COD ID: 2013632
CIF file

HKL data

Original IUCr paper

 Formula: - H O5 Rb Si2 -
Comments: Bull, Ivor; Parise, John B. Cs[Si~3~O~6~(OH)] and Rb[Si~2~O~4~(OH)]: two novel phyllosilicates Acta Crystallographica Section C 59(10) (2003) i100-i102
Space group: P c m n
Cell volume: 510
Cell parameters: 4.8147; 8.267; 12.814; 90; 90; 90;  

COD ID: 2101880
CIF file

Original IUCr paper

 Formula: - C10 H14 O -
Comments: Sañé, J.; Ruis, J.; Calvet, T.; Cuevas-Diarte, M. A. Chiral Molecular Alloys: Patterson-Search Structure Determination of <small>L</small>-Carvone and <small>DL</small>-Carvone from X-ray Powder Diffraction Data at 218 K Acta Crystallographica Section B 53(4) (1997) 702-707
Space group: P c m n
Cell volume: 951.6
Cell parameters: 6.9744; 6.8094; 20.038; 90; 90; 90;  

COD ID: 2106286
CIF file Formula: - Ca2 Fe2 O5 -
Comments: Colville, A.A. The crystal structure of Ca2 Fe2 O5 and its relation to the nuclear electric field gradient at the iron sites Acta Crystallographica B (24,1968-38,1982) 26 (1970) 1469-1473
Space group: P c m n
Cell volume: 445.786
Cell parameters: 5.559; 14.771; 5.429; 90; 90; 90;  

COD ID: 2214188
CIF file

HKL data

Original IUCr paper

 Formula: - C22 H22 Si -
Comments: Amanda J. Watson; Stephen K. Cope; Daniel S. Jones; Craig A. Ogle <i>cis</i>-2,2-Dimethyl-1,3-diphenyl-2,3-dihydro-1<i>H</i>-benzo[<i>c</i>]silole Acta Crystallographica Section E 63(7) (2007) o3346-o3346
Space group: P c m n
Cell volume: 1837.6
Cell parameters: 6.6298; 14.6001; 18.984; 90; 90; 90;  

COD ID: 2310390
CIF file Formula: - Br6 N3 P3 -
Comments: Giglio, E.; Puliti, R. Crystal structure of trimeric phosphonitrilic bromide Acta Crystallographica (1,1948-23,1967) 22 (1967) 304-307
Space group: P c m n
Cell volume: 1278.16
Cell parameters: 6.63; 13.36; 14.43; 90; 90; 90;  

COD ID: 2310618
CIF file Formula: - Ca O3 Ti -
Comments: Kay, H.F.; Bailey, P.C. Structure and properties of Ca Ti O3 Acta Crystallographica (1,1948-23,1967) 10 (1957) 219-226
Space group: P c m n
Cell volume: 223.332
Cell parameters: 5.367; 7.6438; 5.4439; 90; 90; 90;  

COD ID: 2310654
CIF file Formula: - Cl K O3 -
Comments: Ramachandran, G.N.; Lonappan, M.A. The structure of high-temperature potassium chlorate Acta Crystallographica (1,1948-23,1967) 10 (1957) 281-287
Space group: P c m n
Cell volume: 368.924
Cell parameters: 4.74; 5.64; 13.8; 90; 90; 90;  

COD ID: 2310716
CIF file Formula: - Na O3 Ta -
Comments: Ahtee, M.; Unonius, L. The structure of Na Ta O3 by X-ray powder diffraction Acta Crystallographica A (24,1968-38,1982) 33 (1977) 150-154
Space group: P c m n
Cell volume: 234.764
Cell parameters: 5.513; 7.7508; 5.4941; 90; 90; 90;  

COD ID: 3000226
CIF file Formula: - Cl K O3 -
Comments: Reiner, G.; Wartchow, R. On Potassiumchlorate, K Cl O3, Rubidiumchlorate, Rb Cl O3, and Cesiumchlorate, Cs Cl O3 . II. Crystal structure of high-temperature K Cl O3 at 296 K Institutionelles Repositorium der Leibniz Universitaet Hannover (2019)
Space group: P c m n
Cell volume: 346.98
Cell parameters: 4.65; 5.582; 13.368; 90; 90; 90;  

COD ID: 4022052
CIF file Formula: - C26 H32 O -
Comments: Andrey A. Fokin; Peter R. Schreiner; Natalie A. Fokina; Boryslav A. Tkachenko; Heike Hausmann; Michael Serafin; Jeremy E. P. Dahl; Shenggao Liu; Robert M. K. Carlson Reactivity of [1(2,3)4]Pentamantane (T~d~-Pentamantane): A Nanoscale Model of Diamond Journal of Organic Chemistry 71 (2006) 8532-8540
Space group: P c m n
Cell volume: 1823.3
Cell parameters: 9.2444; 12.5227; 15.7503; 90; 90.117; 90;  

COD ID: 4067621
CIF file Formula: - C13 H15 F6 N O5 -
Comments: Zhu, Di; Janssen, Femke F. B. J.; Budzelaar, Peter H. M. (Py)2Co(CH2SiMe3)2As an Easily Accessible Source of “CoR2” Organometallics 29(8) (2010) 1897
Space group: P c m n
Cell volume: 1677.91
Cell parameters: 6.6689; 14.6578; 17.1651; 90; 90; 90;  

COD ID: 4118295
CIF file Formula: - C5 H19 Cl2 N5 O3 Ru S -
Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863
Space group: P c m n
Cell volume: 1484
Cell parameters: 9.798; 7.009; 21.613; 90; 90; 90;  

COD ID: 4118296
CIF file Formula: - C5 H19 Cl2 N5 O3 Ru S -
Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863
Space group: P c m n
Cell volume: 1488
Cell parameters: 9.803; 7.029; 21.595; 90; 90; 90;  

COD ID: 4118298
CIF file Formula: - C5 H19 Cl2 N5 O3 Ru S -
Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863
Space group: P c m n
Cell volume: 1497
Cell parameters: 9.816; 7.052; 21.62; 90; 90; 90;  

COD ID: 4119661
CIF file Formula: - C15 H13 B Br F9 N6 Ni -
Comments: Jun Nakazawa; Shota Terada; Masaki Yamada; Shiro Hikichi Structural Characterization and Oxidation Reactivity of a Nickel(II) Acylperoxo Complex Journal of the American Chemical Society 135 (2013) 6010-6013
Space group: P c m n
Cell volume: 2077
Cell parameters: 8.698; 13.345; 17.896; 90; 90; 90;  

COD ID: 4301124
CIF file Formula: - C8 H13 Cr Mn N8 O2 -
Comments: Yusuke Yoshida; Katsuya Inoue; Mohamedally Kurmoo On the Nature of the Reversibility of Hydration-Dehydration on the Crystal Structure and Magnetism of the Ferrimagnet [MnII(enH)(H2O)][CrIII(CN)6].H2O Inorganic Chemistry 48 (2009) 267-276
Space group: P c m n
Cell volume: 1646.9
Cell parameters: 7.5177; 14.6493; 14.9539; 90; 90; 90;  

COD ID: 4301125
CIF file Formula: - C8 H13 Cr Mn N8 O2 -
Comments: Yusuke Yoshida; Katsuya Inoue; Mohamedally Kurmoo On the Nature of the Reversibility of Hydration-Dehydration on the Crystal Structure and Magnetism of the Ferrimagnet [MnII(enH)(H2O)][CrIII(CN)6].H2O Inorganic Chemistry 48 (2009) 267-276
Space group: P c m n
Cell volume: 1655.5
Cell parameters: 7.5298; 14.6804; 14.976; 90; 90; 90;  

COD ID: 4326749
CIF file Formula: - C38 H41 Cl2 N2 P Zr -
Comments: Ting Zhu; Truman C. Wambach; Michael D. Fryzuk New Cyclopentenyl-Linked [NPN] Ligands and Their Coordination Chemistry with Zirconium: Synthesis of a Dinuclear Side-On-Bound Dinitrogen Complex Inorganic Chemistry 50 (2011) 11212-11221
Space group: P c m n
Cell volume: 3536
Cell parameters: 12.976; 14.267; 19.098; 90; 90; 90;  

COD ID: 4334803
CIF file Formula: - C38 H55 Cl2 Mo N3 O4 -
Comments: Mikko M. Hänninen; Petriina Paturi; Heikki M. Tuononen; Reijo Sillanpää; Ari Lehtonen Heptacoordinated Molybdenum(VI) Complexes of Phenylenediamine Bis(phenolate): A Stable Molybdenum Amidophenoxide Radical Inorganic Chemistry 52 (2013) 5714-5721
Space group: P c m n
Cell volume: 3963.8
Cell parameters: 9.6936; 18.1092; 22.5803; 90; 90; 90;  

COD ID: 4335437
CIF file Formula: - Ag0.74 B2 H13.26 N3 O24 P5 U2 -
Comments: Shijun Wu; Matthew J. Polinski; Thomas Malcherek; Ulrich Bismayer; Martina Klinkenberg; Giuseppe Modolo; Dirk Bosbach; Wulf Depmeier; Thomas E. Albrecht-Schmitt; Evgeny V. Alekseev Novel Fundamental Building Blocks and Site Dependent Isomorphism in the First Actinide Borophosphates Inorganic Chemistry 52 (2013) 7881-7888
Space group: P c m n
Cell volume: 2112.1
Cell parameters: 12.011; 12.166; 14.454; 90; 90; 90;  

COD ID: 4335438
CIF file Formula: - Ag2.28 As8.96 B8 H52.72 N12 O96 P11.04 U8 -
Comments: Shijun Wu; Matthew J. Polinski; Thomas Malcherek; Ulrich Bismayer; Martina Klinkenberg; Giuseppe Modolo; Dirk Bosbach; Wulf Depmeier; Thomas E. Albrecht-Schmitt; Evgeny V. Alekseev Novel Fundamental Building Blocks and Site Dependent Isomorphism in the First Actinide Borophosphates Inorganic Chemistry 52 (2013) 7881-7888
Space group: P c m n
Cell volume: 2195.6
Cell parameters: 12.109; 12.353; 14.678; 90; 90; 90;  

COD ID: 4339275
CIF file Formula: - Ho13 Zn58.711 -
Comments: Piao, Shuying; Lidin, Sven Occupation waves the way you have never seen them: the orthorhombic quasicrystal approximants RE(13)Zn(58+)(delta) (RE = Ho, Er, Tm, and Lu). Inorganic chemistry 46(16) (2007) 6452-6463
Space group: P c m n
Cell volume: 4913.6
Cell parameters: 24.6254; 14.0075; 14.2447; 90; 90; 90;  

COD ID: 4343096
CIF file Formula: - Al3 F12 K2 Na -
Comments: Kirik, Sergei D.; Zaitseva, Yulia N.; Leshok, Darya Yu; Samoilo, Alexandr S.; Dubinin, Petr S.; Yakimov, Igor S.; Simakov, Dmitry A.; Gusev, Alexandr O. NaF-KF-AlF3 System: Phase Transition in K2NaAl3F12 Ternary Fluoride. Inorganic chemistry 54(12) (2015) 5960-5969
Space group: P c m n
Cell volume: 931.89
Cell parameters: 11.8793; 6.9711; 11.2531; 90; 90; 90;  

COD ID: 4349558
CIF file Formula: - C28 H32 Br Cu N12 O4 -
Comments: Wu, Di; Jiang, Ruyong; Luo, Liang; He, Zhen; You, Jingsong Bromide anion-triggered visible responsive metallogels based on squaramide complexes Inorganic Chemistry Frontiers 3(12) (2016) 1597
Space group: P c m n
Cell volume: 4339.57
Cell parameters: 6.06932; 25.5373; 27.9983; 90; 90; 90;  

COD ID: 5910105
CIF file Formula: - Li3 O4 P -
Comments: Wyckoff, R. W. G. Page 65 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold PublishingCorporation, INC, Camden,N. J. in 1935 & http://database.iem.ac.ru/mincryst/ The second edition supplement of The Structure of Crystals (1935) 65-65
Space group: P c m n
Cell volume: 302.672
Cell parameters: 4.86; 6.07; 10.26; 90; 90; 90;  

COD ID: 7004013
CIF file Formula: - C14 H32 Cl2 N4 Ti -
Comments: Hayday, Gregory J.; Wang, Chao; Rees, Nicholas H.; Mountford, Philip Imido titanium compounds bearing the 6-dimethylamino-1,4,6-trimethyl-1,4-diazacycloheptane ligand: synthesis, structures, solution dynamics and ethylene polymerisation capability Dalton Transactions (issue 25) (2008) 3301-3310
Space group: P c m n
Cell volume: 1912.6
Cell parameters: 7.6347; 11.2775; 22.2136; 90; 90; 90;  

COD ID: 7004015
CIF file Formula: - C23 H42 Cl4 N4 Ti -
Comments: Hayday, Gregory J.; Wang, Chao; Rees, Nicholas H.; Mountford, Philip Imido titanium compounds bearing the 6-dimethylamino-1,4,6-trimethyl-1,4-diazacycloheptane ligand: synthesis, structures, solution dynamics and ethylene polymerisation capability Dalton Transactions (issue 25) (2008) 3301-3310
Space group: P c m n
Cell volume: 2760.69
Cell parameters: 9.3464; 13.9957; 21.1047; 90; 90; 90;  

COD ID: 7020677
CIF file Formula: - C80 H84 N4 Pt2 S16 -
Comments: Vacher, Antoine; Barrière, Frédéric; Camerel, Franck; Bergamini, Jean-François; Roisnel, Thierry; Lorcy, Dominique Cis and trans-bis(tetrathiafulvalene-acetylide) platinum(II) complexes: syntheses, crystal structures, and influence of the ancillary ligands on their electronic properties. Dalton transactions (Cambridge, England : 2003) 42(2) (2013) 383-394
Space group: P c m n
Cell volume: 14363.1
Cell parameters: 17.6121; 21.4397; 38.038; 90; 90; 90;  

COD ID: 7023192
CIF file Formula: - C9 H22 Cr N10 O S6 -
Comments: Savard, Didier; Leznoff, Daniel B. Synthesis, structure and light scattering properties of tetraalkylammonium metal isothiocyanate salts. Dalton transactions (Cambridge, England : 2003) 42(42) (2013) 14982-14991
Space group: P c m n
Cell volume: 2332.9
Cell parameters: 9.6828; 14.744; 16.341; 90; 90; 90;  

COD ID: 7025756
CIF file Formula: - C19 H24 Cl2 N5 Pd -
Comments: John, Alex; Shaikh, Mobin M.; Butcher, Ray J.; Ghosh, Prasenjit Highly efficient palladium precatalysts of homoscorpionate bispyrazolyl ligands for the more challenging Suzuki-Miyaura cross-coupling of aryl chlorides. Dalton transactions (Cambridge, England : 2003) 39(31) (2010) 7353-7363
Space group: P c m n
Cell volume: 2020.9
Cell parameters: 8.1966; 13.6939; 18.0046; 90; 90; 90;  

COD ID: 7028212
CIF file Formula: - C4 H5 F5 N2 O2 V2 -
Comments: Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block. Dalton transactions (Cambridge, England : 2003) 43(2) (2014) 568-575
Space group: P c m n
Cell volume: 1739.2
Cell parameters: 7.551; 11.904; 19.349; 90; 90; 90;  

COD ID: 7031974
CIF file Formula: - C46 H68 N4 O Pb -
Comments: Harris, Lisa A.-M.; Tam, Eric C. Y.; Coles, Martyn P.; Fulton, J. Robin Lead and tin β-diketiminato amido/anilido complexes: competitive nucleophilic reactivity at the β-diketiminato γ-carbon. Dalton transactions (Cambridge, England : 2003) 43(36) (2014) 13803-13814
Space group: P c m n
Cell volume: 4990.19
Cell parameters: 9.3058; 19.5694; 27.4022; 90; 90; 90;  

COD ID: 7114865
CIF file Formula: - C14 H15 B Co N6 -
Comments: Brunker, Tim J.; Barlow, Stephen; O’Hare, Dermot (η5-Cyclopentadienyl)(κ3 -hydrotris(pyrazolyl)borate)cobalt(ii)—the first high-spin cobalt organometallic complexElectronic supplementary information (ESI) available: full characterisation data for all compounds. See http://www.rsc.org/suppdata/cc/b1/b105661c/ Chemical Communications (issue 20) (2001) 2052
Space group: P c m n
Cell volume: 1505.31
Cell parameters: 8.1066; 10.3543; 17.9336; 90; 90; 90;  

COD ID: 7117496
CIF file Formula: - Cl5 O S8 Sb -
Comments: Steudel, R.; Sandow, T.; Steidel, J. Reversible Isomerization of Cyclo-octasulphur Monoxide; Preparation and X-Ray Crystal Structure of S8 O Sb Cl5 Journal of the Chemical Society. Chemical Communications (1972-) 1980 (1980) 180-181
Space group: P c m n
Cell volume: 1500.66
Cell parameters: 10.52; 8.8; 16.21; 90; 90; 90;  

COD ID: 7221101
CIF file Formula: - H1.28 Na1.29 O8.64 V3 -
Comments: Legagneur, V.; le Gal la Salle, A.; Verbaere, A.; Guyomard, D.; Piffard, Y. New layered vanadium oxides My H1-y V3 O8 . n(H2 O) (M = Li, Na, K)obtained by oxidation of the precursor H2 V3 O8 Journal of Materials Chemistry 10 (2000) 2805-2810
Space group: P c m n
Cell volume: 745.028
Cell parameters: 22.058; 3.6078; 9.3619; 90; 90; 90;  

COD ID: 7221467
CIF file Formula: - Cl3 Tl2 -
Comments: Boehme, R.; Rath, J.; Thiele, G.; Grunwald, B. Ueber zwei Modifikationen von Tl2 Cl3 - valenzgemischten Thallium(I)-hexahalogenothallaten(III) Tl3 (Tl Cl6) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 35 (1980) 1366-1372
Space group: P c m n
Cell volume: 4658.1
Cell parameters: 14.648; 25.087; 12.676; 90; 90; 90;  

COD ID: 7714132
CIF file Formula: - C16 H12 I2 N2 Pt -
Comments: Gitlina, Anastasiia Yu.; Petrovskii, Stanislav; Luginin, Maksim; Melnikov, Alexei S.; Rychagova, Elena A.; Ketkov, Sergey Yu.; Grachova, Elena V. X/Y Platinum(II) complexes: some features of supramolecular assembly via halogen bonding Dalton Transactions (2023)
Space group: P c m n
Cell volume: 5077.5
Cell parameters: 10.2865; 23.5155; 20.9909; 90; 90; 90;  

COD ID: 9000039
CIF file Formula: - Cu Fe2 S3 -
Comments: Buerger, M. J. The crystal structure of cubanite American Mineralogist 32 (1947) 415-425
Space group: P c m n
Cell volume: 447.908
Cell parameters: 6.463; 11.117; 6.234; 90; 90; 90;  

COD ID: 9000065
CIF file Formula: - Cu Fe2 S3 -
Comments: Azaroff, L. V.; Buerger, M. J. Refinement of the structure of cubanite, CuFe2S3 American Mineralogist 40 (1955) 213-225
Space group: P c m n
Cell volume: 447.533
Cell parameters: 6.46; 11.12; 6.23; 90; 90; 90;  

COD ID: 9000082
CIF file Formula: - Ba O5 Si2 -
Comments: Douglass, R. M. The crystal structure of sanbornite, BaSi2O5 American Mineralogist 43 (1958) 517-536
Space group: P c m n
Cell volume: 481.732
Cell parameters: 4.63; 7.69; 13.53; 90; 90; 90;  

COD ID: 9000307
CIF file Formula: - Ca H8 O15 Si4 V -
Comments: Evans, H. T. The crystal structures of cavansite and pentagonite American Mineralogist 58 (1973) 412-424
Space group: P c m n
Cell volume: 1286.45
Cell parameters: 9.792; 13.644; 9.629; 90; 90; 90;  

COD ID: 9001495
CIF file Formula: - Cu Fe2 S3 -
Comments: McCammon, C. A.; Zhang, J.; Hazen, R. M.; Finger, L. W. High-pressure crystal chemistry of cubanite, CuFe2S3 P = 0 GPa, in air American Mineralogist 77 (1992) 937-944
Space group: P c m n
Cell volume: 446.011
Cell parameters: 6.46; 11.1; 6.22; 90; 90; 90;  

COD ID: 9001496
CIF file Formula: - Cu Fe2 S3 -
Comments: McCammon, C. A.; Zhang, J.; Hazen, R. M.; Finger, L. W. High-pressure crystal chemistry of cubanite, CuFe2S3 P = 0 GPa, in the cell American Mineralogist 77 (1992) 937-944
Space group: P c m n
Cell volume: 446.176
Cell parameters: 6.455; 11.102; 6.226; 90; 90; 90;  

COD ID: 9001497
CIF file Formula: - Cu Fe2 S3 -
Comments: McCammon, C. A.; Zhang, J.; Hazen, R. M.; Finger, L. W. High-pressure crystal chemistry of cubanite, CuFe2S3 P = 1.7 GPa American Mineralogist 77 (1992) 937-944
Space group: P c m n
Cell volume: 434.189
Cell parameters: 6.404; 11.01; 6.158; 90; 90; 90;  

COD ID: 9001498
CIF file Formula: - Cu Fe2 S3 -
Comments: McCammon, C. A.; Zhang, J.; Hazen, R. M.; Finger, L. W. High-pressure crystal chemistry of cubanite, CuFe2S3 P = 3.6 GPa American Mineralogist 77 (1992) 937-944
Space group: P c m n
Cell volume: 422.409
Cell parameters: 6.344; 10.919; 6.098; 90; 90; 90;  

COD ID: 9007780
CIF file Formula: - Ba2 Cu1.1 Ho2 O8 Pt0.9 -
Comments: Saito, Y.; Ukei, K.; Shishido, T.; Fukuda, T. Structure of Ho2Ba2Cu1+xPt1-xO8(x=0.1) Acta Crystallographica, Section C 46 (1990) 970-972
Space group: P c m n
Cell volume: 769.561
Cell parameters: 10.303; 5.668; 13.178; 90; 90; 90;  

COD ID: 9008143
CIF file Formula: - Al3 H15 O16 P2 -
Comments: Araki, T.; Zoltai, T. The crystal structure of wavellite Zeitschrift fur Kristallographie 127 (1968) 21-33
Space group: P c m n
Cell volume: 1168.34
Cell parameters: 9.621; 17.363; 6.994; 90; 90; 90;  

COD ID: 9008202
CIF file Formula: - Cu Fe2 S3 -
Comments: Fleet, M. E. Refinement of the crystal structure of cubanite and polymorphism of CuFe2S3 Sample: anisotropic refinement Note: x(S1) corrected Zeitschrift fur Kristallographie 132 (1971) 276-287
Space group: P c m n
Cell volume: 448.344
Cell parameters: 6.4679; 11.1201; 6.2336; 90; 90; 90;  

COD ID: 9008203
CIF file Formula: - Cu Fe2 S3 -
Comments: Fleet, M. E. Refinement of the crystal structure of cubanite and polymorphism of CuFe2S3 Sample: isotropic refinement Zeitschrift fur Kristallographie 132 (1971) 276-287
Space group: P c m n
Cell volume: 448.344
Cell parameters: 6.4679; 11.1201; 6.2336; 90; 90; 90;  

COD ID: 9008250
CIF file Formula: - Cl H O Pb -
Comments: Venetopoulos, C. C.; Rentzeperis, P. J. The crystal structure of laurionite, Pb(OH)Cl Zeitschrift fur Kristallographie 141 (1975) 246-259
Space group: P c m n
Cell volume: 277.27
Cell parameters: 9.6987; 4.0203; 7.111; 90; 90; 90;  

COD ID: 9009323
CIF file Formula: - Cu3 H9 N O10 -
Comments: Effenberger, H. Likasite, Cu3(OH)5(NO3)*2(H2O): Revision of the chemical formula and redetermination of the crystal structure Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 101-110
Space group: P c m n
Cell volume: 857.547
Cell parameters: 5.83; 6.775; 21.711; 90; 90; 90;  

COD ID: 9011924
CIF file Formula: - Li3 O4 P -
Comments: Bondareva, O. S.; Simonov, M. A.; Belov, N. V. The crystal structure of the synthetic analogue of the lithiophospate gamma-Li3PO4 Doklady Akademii Nauk SSSR 240 (1978) 75-77
Space group: P c m n
Cell volume: 316.497
Cell parameters: 4.926; 6.129; 10.483; 90; 90; 90;  

COD ID: 9014341
CIF file Formula: - Ca H7 O15 Si4 V -
Comments: Ishida, N.; Kimata, M.; Nishida, N.; Hatta, T.; Shimizu, M.; Akasaka, T. Polymorphic relation between cavanite and pentagonite: genetic implications of oxonium ion in cavansite Journal of Mineralogical and Petrological Sciences 104 (2009) 241-252
Space group: P c m n
Cell volume: 1291.04
Cell parameters: 9.794; 13.67; 9.643; 90; 90; 90;  

COD ID: 9015314
CIF file Formula: - Ca H8 O15 Si4 V -
Comments: Hughes, J. M.; Derr, R. S.; Cureton, F.; Campana, C. F.; Druschel, G. The crystal structure of cavansite: location of the H2O molecules and hydrogen atoms in Ca(VO)(Si4O10)*4H2O Note: T = 296 K The Canadian Mineralogist 49 (2011) 1267-1272
Space group: P c m n
Cell volume: 1281.34
Cell parameters: 9.7614; 13.6666; 9.6049; 90; 90; 90;  

COD ID: 9015689
CIF file Formula: - Ca H8 O15 Si4 V -
Comments: Hughes, J. M.; Derr, R. S.; Cureton, F.; Campana, C. F.; Druschel, G. The crystal structure of cavansite: location of the H2O molecules and hydrogen atoms in Ca(VO)(Si4O10)*4H2O Note: T = 100 K The Canadian Mineralogist 49 (2011) 1267-1272
Space group: P c m n
Cell volume: 1280.72
Cell parameters: 9.7518; 13.6854; 9.5965; 90; 90; 90;  

COD ID: 9017675
CIF file Formula: - Al3 F0.53 H12.67 O15.57 P2 -
Comments: Capitelli, F.; Della Ventura, G.; Bellatreccia, F.; Sodo, A.; Saviano, M.; Ghiara, M. R.; Rossi, M. Crystal-chemical study of wavellite from Zbirov, Czech Republic Mineralogical Magazine 78 (2014) 1057-1070
Space group: P c m n
Cell volume: 1176.98
Cell parameters: 9.6422; 17.4146; 7.0094; 90; 90; 90;  


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