Crystallography Open Database

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Searching space group like 'P n -3 m :2'

COD ID: 1008010
CIF file Formula: - H15 O46 P W12 -
Comments: Brown, G M; Noe-Spirlet, M R; Busing, W R; Levy, H A Dodecatungstophosphoric acid hexahydrate, (H~5~ O~2~)~3~ (P W~12~ O~40~), the true structure of Keggin's 'pentahydrate' from single crystal X-ray and neutron diffraction data Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1038-1046
Space group: P n -3 m :2
Cell volume: 1955.9
Cell parameters: 12.506; 12.506; 12.506; 90; 90; 90;  

COD ID: 1008011
CIF file Formula: - H15 O46 P W12 -
Comments: Brown, G M; Noe-Spirlet, M R; Busing, W R; Levy, H A Dodecatungstophosphoric acid hexahydrate, (H~5~ O~2~)~3~ (P W~12~ O~40~), the true structure of Keggin's 'pentahydrate' from single crystal X-ray and neutron diffraction data Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1038-1046
Space group: P n -3 m :2
Cell volume: 1955.9
Cell parameters: 12.506; 12.506; 12.506; 90; 90; 90;  

COD ID: 1010641
CIF file Formula: - Co H18 I3 N6 -
Comments: Stoll, P Raumgitter von Komplexsalzen Diss. ETH Zuerich 1 (1926) 1-46
Space group: P n -3 m :2
Cell volume: 1302.2
Cell parameters: 10.92; 10.92; 10.92; 90; 90; 90;  

COD ID: 1508031
CIF file Formula: - C40 H40 Ag26 N60 O80 P2 W24 -
Comments: Kuang, Xiaofei; Wu, Xiaoyuan; Yu, Rongmin; Donahue, James P.; Huang, Jinshun; Lu, Can-Zhong Assembly of a metal-organic framework by sextuple intercatenation of discrete adamantane-like cages. Nature chemistry 2(6) (2010) 461-465
Space group: P n -3 m :2
Cell volume: 7225.9
Cell parameters: 19.3329; 19.3329; 19.3329; 90; 90; 90;  

COD ID: 1526364
CIF file Formula: - C2 N4 Si -
Comments: Riedel, R.; Greiner, A.; Aldinger, F.; Bill, J.; Miehe, G.; Fuess, H.; Dressler, W. The first crystalline solids in the ternary Si - C - N system Angewandte Chemie (Edition international) 36 (1997) 603-606
Space group: P n -3 m :2
Cell volume: 237.004
Cell parameters: 6.1885; 6.1885; 6.1885; 90; 90; 90;  

COD ID: 1526762
CIF file Formula: - H15.24 O46.12 P W12 -
Comments: Kremenovic, A.; Spasojevic-de Bire, A.; Sciau, P.; Dimitrijevic, R.; Mioc, U.B.; Colomban, P. Keggin's ion structural modification and expansion of dodecatungstophosphoric acid hexahydrate induced by temperature treatment : in situ X-ray powder diffraction and Raman investigations Solid State Ionics 132 (2000) 39-53
Space group: P n -3 m :2
Cell volume: 1787.77
Cell parameters: 12.1368; 12.1368; 12.1368; 90; 90; 90;  

COD ID: 1526764
CIF file Formula: - H15 O46 P W12 -
Comments: Kremenovic, A.; Spasojevic-de Bire, A.; Colomban, P.; Sciau, P.; Dimitrijevic, R.; Mioc, U.B. Keggin's ion structural modification and expansion of dodecatungstophosphoric acid hexahydrate induced by temperature treatment : in situ X-ray powder diffraction and Raman investigations Solid State Ionics 132 (2000) 39-53
Space group: P n -3 m :2
Cell volume: 1796.05
Cell parameters: 12.1555; 12.1555; 12.1555; 90; 90; 90;  

COD ID: 1526944
CIF file Formula: - C2 Be N2 -
Comments: Williams, D.; Pleune, B.; Kouvetakis, J.; Leinenweber, K. Synthesis and structural properties of the binary framework C - N compounds of Be, Mg, Al and Tl Journal of Solid State Chemistry 159 (2001) 244-250
Space group: P n -3 m :2
Cell volume: 152.188
Cell parameters: 5.339; 5.339; 5.339; 90; 90; 90;  

COD ID: 1526945
CIF file Formula: - C2 Mg N2 -
Comments: Williams, D.; Kouvetakis, J.; Pleune, B.; Leinenweber, K. Synthesis and structural properties of the binary framework C - N compounds of Be, Mg, Al and Tl Journal of Solid State Chemistry 159 (2001) 244-250
Space group: P n -3 m :2
Cell volume: 229.446
Cell parameters: 6.122; 6.122; 6.122; 90; 90; 90;  

COD ID: 1527051
CIF file Formula: - Ca0.118 Ce0.19 Eu0.0075 La0.08 Na0.475 Nb0.135 Nd0.04 O3 Pr0.01 Sm0.01 Sr0.05 Th0.01 Ti0.865 -
Comments: Zubkova, N.V.; Arakcheeva, A.V.; Pushcharovskii, D.Yu.; Semenov, E.I.; Atencio, D. Crystal structure of loparite Kristallografiya 45 (2000) 242-246
Space group: P n -3 m :2
Cell volume: 468.554
Cell parameters: 7.767; 7.767; 7.767; 90; 90; 90;  

COD ID: 1531590
CIF file Formula: - H15 O46 P W12 -
Comments: Kremenovic, A.; Bouree, F.; Spasojevic-de Bire, A.; Colomban, P.; Mioc, U.B.; Davidovic, M.; Dimitrijevic, R. Structural modifications of dodecatungstophosphoric acid hexahydrate induced by temperature in the 10 - 358 K range. In situ high-resolution neutron powder diffraction investigation Solid State Ionics 150 (2002) 431-442
Space group: P n -3 m :2
Cell volume: 1761.56
Cell parameters: 12.0772; 12.0772; 12.0772; 90; 90; 90;  

COD ID: 1532850
CIF file Formula: - Mo14.41 O42.82 P -
Comments: Marosi, L.; Cifre, J.; Otero Arean, C. X-ray powder diffraction analysis of the heteropoly-molybdate (Mo O2)0.5 P Mo14 O42 Powder Diffraction 18 (2003) 236-239
Space group: P n -3 m :2
Cell volume: 1640.94
Cell parameters: 11.795; 11.795; 11.795; 90; 90; 90;  

COD ID: 1537009
CIF file Formula: - Bi2 O3 -
Comments: Zav'yalova, A.A.; Imamov, R.M. Special features of the crystal structure of bismuth oxides Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 13 (1972) 869-873
Space group: P n -3 m :2
Cell volume: 161.879
Cell parameters: 5.45; 5.45; 5.45; 90; 90; 90;  

COD ID: 1538611
CIF file Formula: - D2 O -
Comments: Jorgensen, James D.; Worlton, Thomas G. Disordered structure of D2O ice VII from in situ neutron powder diffraction Journal of Chemical Physics 83(1) (1985) 329-333
Space group: P n -3 m :2
Cell volume: 37.599
Cell parameters: 3.3501; 3.3501; 3.3501; 90; 90; 90;  

COD ID: 1541850
CIF file Formula: - N W -
Comments: Khitrova, V.I.; Pinsker, Z.G. An electron-diffraction study of cubic tungsten nitride Kristallografiya 4 (1959) 545-553
Space group: P n -3 m :2
Cell volume: 70.445
Cell parameters: 4.13; 4.13; 4.13; 90; 90; 90;  

COD ID: 1566642
CIF file Formula: - D2 O -
Comments: Kuhs, W. F.; Finney, J. L.; Vettier, C.; Bliss, D. V. Structure and hydrogen ordering in ices VI, VII, and VIII by neutron powder diffraction Journal of Chemical Physics 81 (1984) 3612
Space group: P n -3 m :2
Cell volume: 37.39
Cell parameters: 3.344; 3.344; 3.344; 90; 90; 90;  

COD ID: 1566716
CIF file Formula: - D2 O -
Comments: Jorgensen, James D.; Worlton, Thomas G. Disordered structure of D2O ice VII from in situ neutron powder diffraction Journal of Chemical Physics 83(1) (1985) 329-333
Space group: P n -3 m :2
Cell volume: 37.5987
Cell parameters: 3.3501; 3.3501; 3.3501; 90; 90; 90;  

COD ID: 2002655
CIF file Formula: - Al3 Ho O8 Pb2 -
Comments: Scheikowski, M; Mueller-Buschbaum, Hk Zur Kristallstruktur der Blei-Lanthanoid-Oxoaluminate. Zur Kenntnis von Pb2 Ho Al3 O8 und Pb2 Lu Al3 O8 Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1755-1758
Space group: P n -3 m :2
Cell volume: 834.9
Cell parameters: 9.4164; 9.4164; 9.4164; 90; 90; 90;  

COD ID: 2002656
CIF file Formula: - Al3 Lu O8 Pb2 -
Comments: Scheikowski, M; Mueller-Buschbaum, Hk Zur Kristallstruktur der Blei-Lanthanoid-Oxoaluminate. Zur Kenntnis von Pb2 Ho Al3 O8 und Pb2 Lu Al3 O8 Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1755-1758
Space group: P n -3 m :2
Cell volume: 817
Cell parameters: 9.3486; 9.3486; 9.3486; 90; 90; 90;  

COD ID: 2002769
CIF file Formula: - Al3 Eu O8 Pb2 -
Comments: Mueller-Buschbaum, Hk; Werner, J-P Synthese und Kristallstruktur von Pb2 Ln Al3 O8 (Ln= Eu, Gd) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 51 (1996) 883-887
Space group: P n -3 m :2
Cell volume: 846
Cell parameters: 9.4578; 9.4578; 9.4578; 90; 90; 90;  

COD ID: 2002770
CIF file Formula: - Al3 Gd O8 Pb2 -
Comments: Mueller-Buschbaum, Hk; Werner, J-P Synthese und Kristallstruktur von Pb2 Ln Al3 O8 (Ln= Eu, Gd) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 51 (1996) 883-887
Space group: P n -3 m :2
Cell volume: 842.5
Cell parameters: 9.4448; 9.4448; 9.4448; 90; 90; 90;  

COD ID: 2002822
CIF file Formula: - Al12 Nd4 O32 Pb8 -
Comments: Mueller-Buschbaum, Hk; Werner, J-P Elektroneutrale Pb4 O4-Heterokubaneinheiten in den AluminatSodalithen Ln4 (Al12 O24) (Pb4 O4)2 (Ln = Nd, Sm) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 52 (1997) 449-452
Space group: P n -3 m :2
Cell volume: 861.3
Cell parameters: 9.5143; 9.5143; 9.5143; 90; 90; 90;  

COD ID: 2002823
CIF file Formula: - Al12 O32 Pb8 Sm4 -
Comments: Mueller-Buschbaum, Hk; Werner, J-P Elektroneutrale Pb4O4-Heterokubaneinheiten in den AluminatSodalithen Ln4 Al12O24 (Pb4O4)2 (Ln = Nd, Sm) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 52 (1997) 449-452
Space group: P n -3 m :2
Cell volume: 852.3
Cell parameters: 9.4812; 9.4812; 9.4812; 90; 90; 90;  

COD ID: 2010721
CIF file

HKL data

Original IUCr paper

 Formula: - C12 H36 Mo4 N18 O6 Se4 -
Comments: Virovets, Alexander V.; Fedin, Vladimir P.; Samsonenko, Denis G.; Clegg, William A new cluster complex, (NH~4~)~6~[Mo~4~Se~4~(CN)~12~]·6H~2~O, containing a tetranuclear mixed-valence molybdenum core Acta Crystallographica Section C 56(3) (2000) 272-273
Space group: P n -3 m :2
Cell volume: 1806.9
Cell parameters: 12.18; 12.18; 12.18; 90; 90; 90;  

COD ID: 2204093
CIF file

HKL data

Original IUCr paper

 Formula: - H1.62 K2.46 O40.54 P W12 -
Comments: Youjun Kang; Manrong Li; Jingtai Zhao; Shaoyu Mao The Keggin-type potassium/hydronium 12-tungstophosphate, K~2.4~(H~3~O)~0.6~PO~4~W~12~O~36~ Acta Crystallographica Section E 60(8) (2004) i97-i99
Space group: P n -3 m :2
Cell volume: 1545.65
Cell parameters: 11.5621; 11.5621; 11.5621; 90; 90; 90;  

COD ID: 2210407
CIF file

Original IUCr paper

 Formula: - O40 P Rb3 W12 -
Comments: Mao, Shao-Yu; Ren, Xiao-Xia; Liu, Xiao-Xuan; Mi, Jin-Xiao Rb~3~PO~4~W~12~O~36~ from X-ray powder data Acta Crystallographica Section E 62(9) (2006) i187-i189
Space group: P n -3 m :2
Cell volume: 1585.56
Cell parameters: 11.66078; 11.66078; 11.66078; 90; 90; 90;  

COD ID: 2216158
CIF file

HKL data

Original IUCr paper

 Formula: - Mo12 O40 P Rb3 -
Comments: P. Armand; D. Granier; A. van der Lee Rb~3~[PMo~12~O~40~], a compound containing Keggin anions Acta Crystallographica Section E 63(11) (2007) i191-i191
Space group: P n -3 m :2
Cell volume: 1591.45
Cell parameters: 11.67521; 11.67521; 11.67521; 90; 90; 90;  

COD ID: 4107187
CIF file Formula: - Cu12 K12 Sn21 -
Comments: Saskia Stegmaier; Thomas F. Fässler A Bronze Matryoshka: The Discrete Intermetalloid Cluster [Sn@Cu12@Sn20]^12-^ in the Ternary Phases A~12~Cu~12~Sn~21~ (A = Na, K) Journal of the American Chemical Society 133 (2011) 19758-19768
Space group: P n -3 m :2
Cell volume: 5461.1
Cell parameters: 17.61; 17.61; 17.61; 90; 90; 90;  

COD ID: 4107188
CIF file Formula: - Cu4 Na4 Sn7 -
Comments: Saskia Stegmaier; Thomas F. Fässler A Bronze Matryoshka: The Discrete Intermetalloid Cluster [Sn@Cu12@Sn20]^12-^ in the Ternary Phases A~12~Cu~12~Sn~21~ (A = Na, K) Journal of the American Chemical Society 133 (2011) 19758-19768
Space group: P n -3 m :2
Cell volume: 4595.24
Cell parameters: 16.6253; 16.6253; 16.6253; 90; 90; 90;  

COD ID: 4112316
CIF file Formula: - C24 H26 Cu3 Li N13 O13 -
Comments: Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition Journal of the American Chemical Society 126 (2004) 3014-3015
Space group: P n -3 m :2
Cell volume: 3831.2
Cell parameters: 15.6475; 15.6475; 15.6475; 90; 90; 90;  

COD ID: 4112317
CIF file Formula: - C24 H24.5 Cu3 N14 O12.25 -
Comments: Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition Journal of the American Chemical Society 126 (2004) 3014-3015
Space group: P n -3 m :2
Cell volume: 3847.9
Cell parameters: 15.6702; 15.6702; 15.6702; 90; 90; 90;  

COD ID: 4115419
CIF file Formula: - C24 H30 Cl Cu3 N13 O14 -
Comments: Leandro C. Tabares; Jorge A. R. Navarro; Juan M. Salas Cooperative Guest Inclusion by a Zeolite Analogue Coordination Polymer. Sorption Behavior with Gases and Amine and Group 1 Metal Salts Journal of the American Chemical Society 123 (2001) 383-387
Space group: P n -3 m :2
Cell volume: 3914.43
Cell parameters: 15.76; 15.76; 15.76; 90; 90; 90;  

COD ID: 4119770
CIF file

HKL data

 Formula: - C2 N2 Zn -
Comments: Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2 Journal of the American Chemical Society 135 (2013) 7621-7628
Space group: P n -3 m :2
Cell volume: 205.364
Cell parameters: 5.89986; 5.899858; 5.899858; 90; 90; 90;  

COD ID: 4119771
CIF file

HKL data

 Formula: - C2 N2 Zn -
Comments: Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2 Journal of the American Chemical Society 135 (2013) 7621-7628
Space group: P n -3 m :2
Cell volume: 192.17
Cell parameters: 5.7707; 5.7707; 5.7707; 90; 90; 90;  

COD ID: 4318188
CIF file

HKL data

 Formula: - Ag2 O -
Comments: P. Norby; R. Dinnebier; A. N. Fitch Decomposition of Silver Carbonate; the Crystal Structure of Two High-Temperature Modifications of Ag2CO3 Inorganic Chemistry 41 (2002) 3628-3637
Space group: P n -3 m :2
Cell volume: 105.865
Cell parameters: 4.73061; 4.73061; 4.73061; 90; 90; 90;  

COD ID: 4337265
CIF file Formula: - C96 H108 Ag12 I6 P6 S12 -
Comments: Liao, Jian-Hong; Latouche, Camille; Li, Bing; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W. A twelve-coordinated iodide in a cuboctahedral silver(i) skeleton. Inorganic chemistry 53(4) (2014) 2260-2267
Space group: P n -3 m :2
Cell volume: 6123.4
Cell parameters: 18.2949; 18.2949; 18.2949; 90; 90; 90;  

COD ID: 4513966
CIF file Formula: - C26 H20 Cu4 In N5 O8 S4 -
Comments: Han, Yi; Zheng, Hao; Liu, Kang; Wang, Hongli; Huang, Hongliang; Xie, Lin-Hua; Wang, Lei; Li, Jian-Rong In-Situ Ligand Formation-Driven Preparation of a Heterometallic Metal-Organic Framework for Highly Selective Separation of Light Hydrocarbons and Efficient Mercury Adsorption. ACS applied materials & interfaces 8(35) (2016) 23331-23337
Space group: P n -3 m :2
Cell volume: 10718.4
Cell parameters: 22.0484; 22.0484; 22.0484; 90; 90; 90;  

COD ID: 7202638
CIF file Formula: - C8 H8 F2 N4 O4 Pd -
Comments: Jorge A. R. Navarro; Elisa Barea; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi; Conchi O. Ania; José B. Parra Borderline microporous?ultramicroporous palladium(ii) coordination polymer networks. Effect of pore functionalisation on gas adsorption properties Journal of Materials Chemistry 17(19) (2007) 1939
Space group: P n -3 m :2
Cell volume: 4339.8
Cell parameters: 16.31134; 16.31134; 16.31134; 90; 90; 90;  

COD ID: 7202639
CIF file Formula: - C8 H4 F2 N4 O2 Pd -
Comments: Jorge A. R. Navarro; Elisa Barea; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi; Conchi O. Ania; José B. Parra Borderline microporous?ultramicroporous palladium(ii) coordination polymer networks. Effect of pore functionalisation on gas adsorption properties Journal of Materials Chemistry 17(19) (2007) 1939
Space group: P n -3 m :2
Cell volume: 4327.3
Cell parameters: 16.29569; 16.29569; 16.29569; 90; 90; 90;  

COD ID: 7221068
CIF file Formula: - H9 O43 P W12 -
Comments: Marosi, L.; Otero Arean, C.; Escalona Platero, E.; Cifre, J. Thermal dehydration of H3+x P Vx M12-x O40 . y(H2 O) Keggin type heteropolyacids; formation, thermal stability and structure of the anhydrous acids H3 P M12 O40, of the corresponding anhydrides P M12 O38.5 and of a novel trihydrate H3 P W12 O40 Journal of Materials Chemistry 10 (2000) 1949-1955
Space group: P n -3 m :2
Cell volume: 1622.23
Cell parameters: 11.75; 11.75; 11.75; 90; 90; 90;  

COD ID: 7222767
CIF file Formula: - C2 N2 Zn -
Comments: Reckeweg, O.; Simon, A. X-ray and Raman investigations on cyanides of mono- and divalent metals and synthesis, crystal structure and Raman spectrum of Tl5 (C O3)2 (C N) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 57 (2002) 895-900
Space group: P n -3 m :2
Cell volume: 206.761
Cell parameters: 5.9132; 5.9132; 5.9132; 90; 90; 90;  

COD ID: 9011038
CIF file Formula: - Fe H6 O6 Sn -
Comments: Strunz, V. H.; Contag, B. Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur Acta Crystallographica 13 (1960) 601-603
Space group: P n -3 m :2
Cell volume: 472.729
Cell parameters: 7.79; 7.79; 7.79; 90; 90; 90;  

COD ID: 9011039
CIF file Formula: - H6 Mn O6 Sn -
Comments: Strunz, V. H.; Contag, B. Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur Acta Crystallographica 13 (1960) 601-603
Space group: P n -3 m :2
Cell volume: 489.304
Cell parameters: 7.88; 7.88; 7.88; 90; 90; 90;  

COD ID: 9011040
CIF file Formula: - Co H6 O6 Sn -
Comments: Strunz, V. H.; Contag, B. Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur Acta Crystallographica 13 (1960) 601-603
Space group: P n -3 m :2
Cell volume: 470.911
Cell parameters: 7.78; 7.78; 7.78; 90; 90; 90;  

COD ID: 9011041
CIF file Formula: - H6 Mg O6 Sn -
Comments: Strunz, V. H.; Contag, B. Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur Acta Crystallographica 13 (1960) 601-603
Space group: P n -3 m :2
Cell volume: 469.097
Cell parameters: 7.77; 7.77; 7.77; 90; 90; 90;  

COD ID: 9011042
CIF file Formula: - Ca H6 O6 Sn -
Comments: Strunz, V. H.; Contag, B. Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur Acta Crystallographica 13 (1960) 601-603
Space group: P n -3 m :2
Cell volume: 537.368
Cell parameters: 8.13; 8.13; 8.13; 90; 90; 90;  


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