Crystallography Open Database

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Searching space group like 'P -4 3 m'

COD ID: 1008127
CIF file Formula: - Br D4 N -
Comments: Levy, H A; Peterson, S W Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases Journal of the American Chemical Society 75 (1953) 1536-1542
Space group: P -4 3 m
Cell volume: 64
Cell parameters: 4; 4; 4; 90; 90; 90;  

COD ID: 1010322
CIF file Formula: - Ag0.5 Au0.5 Cl3 Cs -
Comments: Elliott, N The Crystal Structure and Magnetic Susceptibility of Caesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~, and Caesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~ Journal of Chemical Physics 2 (1934) 419-421
Space group: P -4 3 m
Cell volume: 151.4
Cell parameters: 5.33; 5.33; 5.33; 90; 90; 90;  

COD ID: 1010323
CIF file Formula: - Au Cl3 Cs -
Comments: Elliott, N The Crystal Structure and Magnetic Susceptibility of Caesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~, and Caesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~ Journal of Chemical Physics 2 (1934) 419-421
Space group: P -4 3 m
Cell volume: 151.4
Cell parameters: 5.33; 5.33; 5.33; 90; 90; 90;  

COD ID: 1010455
CIF file Formula: - Li10 Pb3 -
Comments: Rollier, M A; Arreghini, E La fase gamma della lega litio-piombo Li~10~ Pb~3~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 101 (1939) 470-482
Space group: P -4 3 m
Cell volume: 1024.8
Cell parameters: 10.082; 10.082; 10.082; 90; 90; 90;  

COD ID: 1010634
CIF file Formula: - Cu3 S4 V -
Comments: Lundqvist, D; Westgren, A The crystal structure of Cu V S~4~ Svensk Kemisk Tidskrift 48 (1936) 241-243
Space group: P -4 3 m
Cell volume: 155.6
Cell parameters: 5.379; 5.379; 5.379; 90; 90; 90;  

COD ID: 1010778
CIF file Formula: - Al4 B10 Be2 K2 Li4 Na2 O27 -
Comments: Strunz, H Gitterkonstante und Raumgruppe von Rhodizit und Jeremejewit Naturwissenschaften 26 (1938) 217-217
Space group: P -4 3 m
Cell volume: 389.5
Cell parameters: 7.303; 7.303; 7.303; 90; 90; 90;  

COD ID: 1010998
CIF file Formula: - Al6 Na8 O28 S Si6 -
Comments: Barth, T F W The Structures of the Minerals of the Sodalite Family Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 83 (1932) 405-414
Space group: P -4 3 m
Cell volume: 741.2
Cell parameters: 9.05; 9.05; 9.05; 90; 90; 90;  

COD ID: 1011139
CIF file Formula: - Al6 Cl2 Na8 O24 Si6 -
Comments: Barth, T F W The structures of the minerals of the sodalite family Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 83 (1932) 405-414
Space group: P -4 3 m
Cell volume: 702.6
Cell parameters: 8.89; 8.89; 8.89; 90; 90; 90;  

COD ID: 1011219
CIF file Formula: - Cu3 S4 V -
Comments: Pauling, L; Hultgren, R The crystal structure of sulvanite Cu3 V S4 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 84 (1932) 204-212
Space group: P -4 3 m
Cell volume: 154.9
Cell parameters: 5.37; 5.37; 5.37; 90; 90; 90;  

COD ID: 1508533
CIF file Formula: - B4 H16 Zr -
Comments: Rude, Line H.; Corno, Marta; Ugliengo, Piero; Baricco, Marcello; Lee, Young-Su; Cho, Young Whan; Besenbacher, Flemming; Overgaard, Jacob; Jensen, Torben R. Synthesis and Structural Investigation of Zr(BH4)4 The Journal of Physical Chemistry C 116(38) (2012) 20239
Space group: P -4 3 m
Cell volume: 199.04
Cell parameters: 5.8387; 5.8387; 5.8387; 90; 90; 90;  

COD ID: 1510591
CIF file Formula: - Au9 In4 -
Comments: Puselj, M.; Schubert, K. Kristalstrukturen von Au9 In4 (h) und Au7 In3 Journal of the Less-Common Metals 41 (1975) 33-44
Space group: P -4 3 m
Cell volume: 953.636
Cell parameters: 9.843; 9.843; 9.843; 90; 90; 90;  

COD ID: 1521486
CIF file Formula: - D1.26 Mn2 Y -
Comments: Latroche, M.; Paul-Boncour, V.; Percheron-Guegan, A.; Bouree-Vigneron, F.; Andre, G. Structural and magnetic properties of low D content Y Mn2 deuteride Journal of Solid State Chemistry 154 (2000) 398-404
Space group: P -4 3 m
Cell volume: 484.662
Cell parameters: 7.855; 7.855; 7.855; 90; 90; 90;  

COD ID: 1522823
CIF file Formula: - Ga5 Ni8 Zn36 -
Comments: Sarah, N.; Rajasekharan, T.; Schubert, K. Ueber die Mischung Ni Zn Ga Zeitschrift fuer Metallkunde 72 (1981) 732-735
Space group: P -4 3 m
Cell volume: 692.755
Cell parameters: 8.8483; 8.8483; 8.8483; 90; 90; 90;  

COD ID: 1524814
CIF file Formula: - Cd5 Ni -
Comments: Ljung, H.; Westman, S. X-ray determination of the structure of the primitive cubic gamma Ni, Cd phase Acta Chemica Scandinavica (1-27,1973-42,1988) 24 (1970) 611-617
Space group: P -4 3 m
Cell volume: 937.681
Cell parameters: 9.7878; 9.7878; 9.7878; 90; 90; 90;  

COD ID: 1525997
CIF file Formula: - Cu1.86 Fe0.8 S4 Sn0.97 -
Comments: Evstigneyeva, T.L.; Kabalov, Yu.K. Crystal structure of the cubic modification of Cu2 Fe Sn S4 Kristallografiya 46 (2001) 418-422
Space group: P -4 3 m
Cell volume: 159.035
Cell parameters: 5.4179; 5.4179; 5.4179; 90; 90; 90;  

COD ID: 1527228
CIF file Formula: - Cu9 In4 -
Comments: Che Guangcan; Ellner, M. Powder crystal data for the high-temperature phases Cu4 In, Cu9 In4 (h) and Cu2 In (h) Powder Diffraction 7 (1992) 107-108
Space group: P -4 3 m
Cell volume: 752.826
Cell parameters: 9.097; 9.097; 9.097; 90; 90; 90;  

COD ID: 1527548
CIF file Formula: - H8 Li14 O32 W7 -
Comments: Huellen, A. Struktur und thermischer Abbau des (Li2 W O4)7 (H2 O)4 Berichte der Bunsengesellschaft fuer Physikalische Chemie 70 (1966) 598-606
Space group: P -4 3 m
Cell volume: 575.93
Cell parameters: 8.32; 8.32; 8.32; 90; 90; 90;  

COD ID: 1527854
CIF file Formula: - Cu3 S Se3 Ta -
Comments: Mueller, A.; Seivert, W. Ueber Verbindungen des Typs Cu3 M Sx Se(4-X) (M = Nb,Ta). Bestimmung der Kristallstruktur von Cu3 Ta S Se3 Zeitschrift fuer Anorganische und Allgemeine Chemie 406 (1974) 80-91
Space group: P -4 3 m
Cell volume: 178.168
Cell parameters: 5.627; 5.627; 5.627; 90; 90; 90;  

COD ID: 1529730
CIF file Formula: - Al3.6 H2.4 Na3.68 O25.2 Si8.4 -
Comments: Cartlidge, S.; Meier, W.M. Solid state transformations of synthetic CHA and EAB-type zeolites in the sodium form Zeolites 4 (1984) 218-225
Space group: P -4 3 m
Cell volume: 712.122
Cell parameters: 8.93; 8.93; 8.93; 90; 90; 90;  

COD ID: 1533322
CIF file Formula: - Ge7 H18 O23 -
Comments: Zhou Yaming; Liu Zhichen; Zhao Dongyuan; Chen Zhenxia; Weng Linhong (H3 O)4 Ge7 O16 * 3(H2 O) and K4 Ge9 O20: two microporous germanates constructed by Ge10 O28 units Hua Hsueh Hsueh Pao 61 (2003) 382-387
Space group: P -4 3 m
Cell volume: 462.051
Cell parameters: 7.7309; 7.7309; 7.7309; 90; 90; 90;  

COD ID: 1533696
CIF file Formula: - Cs3 Ge0.97 H9 O20 Si2.19 Ti3.84 -
Comments: Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A. Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge Journal of Solid State Chemistry 177 (2004) 2903-2915
Space group: P -4 3 m
Cell volume: 485.162
Cell parameters: 7.8577; 7.8577; 7.8577; 90; 90; 90;  

COD ID: 1533699
CIF file Formula: - Cs3 Ge1.75 H10 O20.5 Si1.53 Ti3.72 -
Comments: Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A. Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge Journal of Solid State Chemistry 177 (2004) 2903-2915
Space group: P -4 3 m
Cell volume: 493.039
Cell parameters: 7.9; 7.9; 7.9; 90; 90; 90;  

COD ID: 1533703
CIF file Formula: - Cs3 Ge2.66 H11 O21 Si0.79 Ti3.55 -
Comments: Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A. Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge Journal of Solid State Chemistry 177 (2004) 2903-2915
Space group: P -4 3 m
Cell volume: 498.79
Cell parameters: 7.9306; 7.9306; 7.9306; 90; 90; 90;  

COD ID: 1533707
CIF file Formula: - Cs3 Ge3.45 H10 O20.5 Ti3.55 -
Comments: Tripathi, A.; Clearfield, A.; Medvedev, D.G.; Delgado, J. Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge Journal of Solid State Chemistry 177 (2004) 2903-2915
Space group: P -4 3 m
Cell volume: 507.578
Cell parameters: 7.9769; 7.9769; 7.9769; 90; 90; 90;  

COD ID: 1533711
CIF file Formula: - Cs0.36 Ge0.97 H18.04 O23.2 Si2.19 Ti3.84 -
Comments: Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A. Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge Journal of Solid State Chemistry 177 (2004) 2903-2915
Space group: P -4 3 m
Cell volume: 488.801
Cell parameters: 7.8773; 7.8773; 7.8773; 90; 90; 90;  

COD ID: 1533715
CIF file Formula: - Cs0.36 Ge1.75 H18.14 O23.26 Si1.53 Ti3.72 -
Comments: Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A. Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge Journal of Solid State Chemistry 177 (2004) 2903-2915
Space group: P -4 3 m
Cell volume: 498.206
Cell parameters: 7.9275; 7.9275; 7.9275; 90; 90; 90;  

COD ID: 1533719
CIF file Formula: - Cs0.41 Ge2.66 H17.79 O23.1 Si0.79 Ti3.55 -
Comments: Tripathi, A.; Medvedev, D.G.; Clearfield, A.; Delgado, J. Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge Journal of Solid State Chemistry 177 (2004) 2903-2915
Space group: P -4 3 m
Cell volume: 507.349
Cell parameters: 7.9757; 7.9757; 7.9757; 90; 90; 90;  

COD ID: 1533723
CIF file Formula: - Cs0.35 Ge3.45 H17.93 O23.14 Ti3.55 -
Comments: Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A. Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge Journal of Solid State Chemistry 177 (2004) 2903-2915
Space group: P -4 3 m
Cell volume: 516.564
Cell parameters: 8.0237; 8.0237; 8.0237; 90; 90; 90;  

COD ID: 1533727
CIF file Formula: - H9 K3 O20 Si3 Ti4 -
Comments: Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A. Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge Journal of Solid State Chemistry 177 (2004) 2903-2915
Space group: P -4 3 m
Cell volume: 468.138
Cell parameters: 7.7647; 7.7647; 7.7647; 90; 90; 90;  

COD ID: 1533731
CIF file Formula: - H9 K2.2 Nb0.8 O20 Si3 Ti3.2 -
Comments: Tripathi, A.; Medvedev, D.G.; Clearfield, A.; Delgado, J. Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge Journal of Solid State Chemistry 177 (2004) 2903-2915
Space group: P -4 3 m
Cell volume: 473.403
Cell parameters: 7.7937; 7.7937; 7.7937; 90; 90; 90;  

COD ID: 1533735
CIF file Formula: - Cs2.76 H11 K0.21 O21 Si3 Ti4 -
Comments: Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A. Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge Journal of Solid State Chemistry 177 (2004) 2903-2915
Space group: P -4 3 m
Cell volume: 482.185
Cell parameters: 7.8416; 7.8416; 7.8416; 90; 90; 90;  

COD ID: 1533739
CIF file Formula: - Cs2.1 H11 K0.09 Nb0.84 O21 Si3 Ti3.16 -
Comments: Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A. Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge Journal of Solid State Chemistry 177 (2004) 2903-2915
Space group: P -4 3 m
Cell volume: 485.996
Cell parameters: 7.8622; 7.8622; 7.8622; 90; 90; 90;  

COD ID: 1534073
CIF file Formula: - Cs1.002 K2.01 O20 Si3 Ti4 -
Comments: Xu Hongwu; Nyman, M.; Navrotsky, A.; Nenoff, T.M. Crystal chemistry and energetics of pharmacosiderite-related microporous phases in the (K2 O) - (Cs2 O) - (Si O2) - (Ti O2) - (H2 O) system Microporous and Mesoporous Materials 772 (2004) 209-218
Space group: P -4 3 m
Cell volume: 471.801
Cell parameters: 7.7849; 7.7849; 7.7849; 90; 90; 90;  

COD ID: 1534075
CIF file Formula: - Cs1.5 K1.5 O20 Si3 Ti4 -
Comments: Xu Hongwu; Navrotsky, A.; Nyman, M.; Nenoff, T.M. Crystal chemistry and energetics of pharmacosiderite-related microporous phases in the (K2 O) - (Cs2 O) - (Si O2) - (Ti O2) - (H2 O) system Microporous and Mesoporous Materials 772 (2004) 209-218
Space group: P -4 3 m
Cell volume: 474.716
Cell parameters: 7.8009; 7.8009; 7.8009; 90; 90; 90;  

COD ID: 1534077
CIF file Formula: - Cs1.998 K0.99 O20 Si3 Ti4 -
Comments: Xu Hongwu; Navrotsky, A.; Nenoff, T.M.; Nyman, M. Crystal chemistry and energetics of pharmacosiderite-related microporous phases in the (K2 O) - (Cs2 O) - (Si O2) - (Ti O2) - (H2 O) system Microporous and Mesoporous Materials 772 (2004) 209-218
Space group: P -4 3 m
Cell volume: 475.977
Cell parameters: 7.8078; 7.8078; 7.8078; 90; 90; 90;  

COD ID: 1534079
CIF file Formula: - Cs2.94 H10.14 K0.06 O20.57 Si3 Ti4 -
Comments: Xu Hongwu; Navrotsky, A.; Nyman, M.; Nenoff, T.M. Crystal chemistry and energetics of pharmacosiderite-related microporous phases in the (K2 O) - (Cs2 O) - (Si O2) - (Ti O2) - (H2 O) system Microporous and Mesoporous Materials 772 (2004) 209-218
Space group: P -4 3 m
Cell volume: 479.387
Cell parameters: 7.8264; 7.8264; 7.8264; 90; 90; 90;  

COD ID: 1535302
CIF file Formula: - Br5 H36 La4 Mo12 O56 P -
Comments: Mialane, P.; Dolbecq, A.; Mallard, A.; Lisnard, L.; Marrot, J.; Secheresse, F. [eta-P Mo12 O36 (OH)4 {La (H2 O)4}4]5+: The First eta-P Mo12 O40 Keggin Ion and Its Association with the Two-Electron-Reduced alpha-P Mo12 O40 Isomer Angew. Chem. Int. ed. 41 (2002) 2398-2401
Space group: P -4 3 m
Cell volume: 1827.3
Cell parameters: 12.2256; 12.2256; 12.2256; 90; 90; 90;  

COD ID: 1535306
CIF file Formula: - Cl5.04 La4 Mo12 O56.12 P -
Comments: Mialane, P.; Dolbecq, A.; Mallard, A.; Lisnard, L.; Marrot, J.; Secheresse, F. [eta-P Mo12 O36 ( OH)4 {La (H2 O)4}4]5+: The First eta-P Mo12O 40 Keggin Ion and Its Association with the Two-Electron-Reduced alpha-P Mo12 O40 Isomer Angew. Chem. Int. ed. 41 (2002) 2398-2401
Space group: P -4 3 m
Cell volume: 1915.54
Cell parameters: 12.4193; 12.4193; 12.4193; 90; 90; 90;  

COD ID: 1536317
CIF file Formula: - Cl7.5 Cs1.5 H3 I3 O1.5 Re3 -
Comments: Jung, B.; Meyer, G. Synthese, Kristallstruktur und thermischer Abbau von Cs1.5(Re3I3Cl7.5(H2O)1.5) Zeitschrift fuer Anorganische und Allgemeine Chemie 610 (1992) 15-19
Space group: P -4 3 m
Cell volume: 1911.52
Cell parameters: 12.4106; 12.4106; 12.4106; 90; 90; 90;  

COD ID: 1537012
CIF file Formula: - As3 Fe4 O16 -
Comments: Zemann, J. Ueber die Struktur des Pharmakosiderits Experientia 3 (1947) 452-452
Space group: P -4 3 m
Cell volume: 500.566
Cell parameters: 7.94; 7.94; 7.94; 90; 90; 90;  

COD ID: 1538544
CIF file Formula: - Al6 Na8 O28 S Si6 -
Comments: Saalfeld, H. Untersuchungen ueber die Nosean-Struktur Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) 1959 (1959) 38-46
Space group: P -4 3 m
Cell volume: 741.218
Cell parameters: 9.05; 9.05; 9.05; 90; 90; 90;  

COD ID: 1540094
CIF file Formula: - Cu12.32 In18.04 Se32 -
Comments: Hoenle, W.; Kuehn, G.; Boehnke, U.C. The crystal structure of a quenched Cu-rich beta phase with the composition Cu14 In16.7 Se32 Journal of Materials Science 24 (1989) 2483-2487
Space group: P -4 3 m
Cell volume: 1534.4
Cell parameters: 11.534; 11.534; 11.534; 90; 90; 90;  

COD ID: 1542051
CIF file Formula: - Al4 B9.9996 Be2.0004 K Li4 Na O27 -
Comments: Strunz, H. Die Struktur von Rhodizit Naturwissenschaften 31 (1943) 68-68
Space group: P -4 3 m
Cell volume: 389.017
Cell parameters: 7.3; 7.3; 7.3; 90; 90; 90;  

COD ID: 1544871
CIF file Formula: - Cu Fe2 S3 -
Comments: Mizota, T.; Koto, K. Disorder of metal atoms in the structure of quenched high-temperature cubanite, CuFe2S3, Z=4/3 Mineralogical Journal 11 (1983) 213-221
Space group: P -4 3 m
Cell volume: 148.64
Cell parameters: 5.2972; 5.2972; 5.2972; 90; 90; 90;  

COD ID: 1567882
CIF file Formula: - C87 H48 O32 U4 -
Comments: Hanna, Sylvia L.; Debela, Tekalign T.; Mroz, Austin M.; Syed, Zoha H.; Kirlikovali, Kent O.; Hendon, Christopher H.; Farha, Omar K. Identification of a metastable uranium metal-organic framework isomer through non-equilibrium synthesis. Chemical science 13(44) (2022) 13032-13039
Space group: P -4 3 m
Cell volume: 9131.95
Cell parameters: 20.902; 20.902; 20.902; 90; 90; 90;  

COD ID: 2002144
CIF file Formula: - Mn0.5 O3 Pb Te0.5 -
Comments: Wulff, L; Wedel, B; Mueller-Buschbaum, Hk Zur Kristallchemie von Telluraten mit Mn2+ im kationischen und anionischen Teil der Kristallstruktur: (Mn2.4 Cu0.6) Te O6, Ba2 Mn Te O6 und Pb (Mn0.5 Te0.5) O3 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 53 (1998) 49-52
Space group: P -4 3 m
Cell volume: 66.2
Cell parameters: 4.045; 4.045; 4.045; 90; 90; 90;  

COD ID: 2009419
CIF file

Original IUCr paper

 Formula: - Cu Ni5 Sn9 Zn5 -
Comments: Larsson, A-K.; Lidin, S.; Jacob, M. Sn~8.7~(Ni~0.5~,Zn~0.4~,Cu~0.1~)~10.4~, a new tin-based alloy from a complex metallic mixture Acta Crystallographica Section C 50(1) (1994) 9-12
Space group: P -4 3 m
Cell volume: 694.1
Cell parameters: 8.854; 8.854; 8.854; 90; 90; 90;  

COD ID: 2020045
CIF file Formula: - Cu0.99 Ni4.95 Sn8.7 Zn3.96 -
Comments: Larsson, A.K.; Lidin, S.; Jacob, M. Sn8.7(Ni.5 Zn.4 Cu.1)10.4, a new tin-based alloy from a complex metallic mixture Acta Crystallographica C (39,1983-) 50 (1994) 9-12
Space group: P -4 3 m
Cell volume: 694.094
Cell parameters: 8.854; 8.854; 8.854; 90; 90; 90;  

COD ID: 2105384
CIF file Formula: - Ag9 In4 -
Comments: Tozer, D.J.N.; Brezard, R.; Pearson, W.B.; Brandon, J.K. Gamma-brasses with I and P cells Acta Crystallographica B (24,1968-38,1982) 33 (1977) 527-537
Space group: P -4 3 m
Cell volume: 976.782
Cell parameters: 9.922; 9.922; 9.922; 90; 90; 90;  

COD ID: 2105399
CIF file Formula: - Au9 In4 -
Comments: Brandon, J.K.; Pearson, W.B.; Brezard, R.; Tozer, D.J.N. Gamma-brasses with I and P cells Acta Crystallographica B (24,1968-38,1982) 33 (1977) 527-537
Space group: P -4 3 m
Cell volume: 949.572
Cell parameters: 9.829; 9.829; 9.829; 90; 90; 90;  

COD ID: 2106132
CIF file Formula: - Cd5 Pt -
Comments: Arnberg, L. The structures of the gamma-phases in the Pd-Cd and Pt-Cd systems Acta Crystallographica B (24,1968-38,1982) 36 (1980) 527-532
Space group: P -4 3 m
Cell volume: 976.191
Cell parameters: 9.92; 9.92; 9.92; 90; 90; 90;  

COD ID: 2106133
CIF file Formula: - Cd43 Pd8 -
Comments: Arnberg, L. The structures of the gamma-phases in the Pd-Cd and Pt-Cd systems Acta Crystallographica B (24,1968-38,1982) 36 (1980) 527-532
Space group: P -4 3 m
Cell volume: 982.552
Cell parameters: 9.9415; 9.9415; 9.9415; 90; 90; 90;  

COD ID: 2205377
CIF file

Original IUCr paper

 Formula: - Co H28 K6 O53 Ti W11 -
Comments: Werner Kraus; Holger Stephan; Anita Röllich; Zdenek Matĕjka; Günter Reck K~6~H~2~[TiW~11~CoO~40~].13H~2~O, with a monotitanoundecatungstocobaltate(II) anion Acta Crystallographica, Section E 61(3) (2005) i35-i37
Space group: P -4 3 m
Cell volume: 1219.9
Cell parameters: 10.685; 10.685; 10.685; 90; 90; 90;  

COD ID: 2206580
CIF file

HKL data

Original IUCr paper

 Formula: - Cu3 Nb S4 -
Comments: Kars, Mohammed; Rebbah, Allaoua; Rebbah, Houria Cu~3~NbS~4~ Acta Crystallographica Section E 61(8) (2005) i180-i181
Space group: P -4 3 m
Cell volume: 166.38
Cell parameters: 5.5001; 5.5001; 5.5001; 90; 90; 90;  

COD ID: 2310463
CIF file Formula: - C12 Ni4 O18 P4 -
Comments: Pierron, E.D.; Wheatley, P.J.; Riess, J.G. Structure of P, P(I), P(II), P(III) - Tetrakistricarbonylnickel-tetraphosphorus hexaoxide Acta Crystallographica (1,1948-23,1967) 21 (1966) 288-289
Space group: P -4 3 m
Cell volume: 684.031
Cell parameters: 8.811; 8.811; 8.811; 90; 90; 90;  

COD ID: 3000014

CIF file is on hold until 2013-12-25

 Formula: - As3 Cr4 Cs3 O16 -
Comments: Habib Boughzala Crystal structure of a (III/IV) chromium mixed valence cesium tris(arsenate): Cs~3~(CrO)~4~(AsO~4~)~3~ To be published in Acta Cryst. Section E ()
Space group: P -4 3 m
Cell volume: 473.5
Cell parameters: 7.794; 7.794; 7.794; 90; 90; 90;  

COD ID: 4001337
CIF file Formula: - C9 H54 Al7 N3 O45 P9 -
Comments: Lu, Ailing; Song, Haibin; Li, Niu; Xiang, Shouhe; Guan, Naijia; Wang, Honggen Novel Large Aluminophosphite Cage Unit as the Building Blocks To Form a Framework Structure Containing Multidimensional 12-Ring Channels Chemistry of Materials 19(17) (2007) 4142
Space group: P -4 3 m
Cell volume: 5417.6
Cell parameters: 17.5632; 17.5632; 17.5632; 90; 90; 90;  

COD ID: 4002208
CIF file Formula: - C240 Cd54 O4 S80 -
Comments: Levchenko, Tetyana I.; Kübel, Christian; Wang, Di; Khalili Najafabadi, Bahareh; Huang, Yining; Corrigan, John F. Controlled Solvothermal Routes to Hierarchical 3D Superparticles of Nanoscopic CdS Chemistry of Materials 27(10) (2015) 3666
Space group: P -4 3 m
Cell volume: 13783
Cell parameters: 23.976; 23.976; 23.976; 90; 90; 90;  

COD ID: 4003375
CIF file Formula: - I75 Pb50 -
Comments: Fateev, Sergey A.; Petrov, Andrey A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B. Solution Processing of Methylammonium Lead Iodide Perovskite from γ-Butyrolactone: Crystallization Mediated by Solvation Equilibrium Chemistry of Materials 30(15) (2018) 5237
Space group: P -4 3 m
Cell volume: 12633
Cell parameters: 23.29; 23.29; 23.29; 90; 90; 90;  

COD ID: 4003639
CIF file Formula: - C360 O91 Zn28 -
Comments: Dong, Jinqiao; Shen, Pingchuan; Ying, Shaoming; Li, Zi-Jian; Yuan, Yi Di; Wang, Yuxiang; Zheng, Xiaoyan; Peh, Shing Bo; Yuan, Hongye; Liu, Guoliang; Cheng, Youdong; Pan, Yutong; Shi, Leilei; Zhang, Jian; Yuan, Daqiang; Liu, Bin; Zhao, Zujin; Tang, Ben Zhong; Zhao, Dan Aggregation-Induced Emission-Responsive Metal‒Organic Frameworks Chemistry of Materials (2020)
Space group: P -4 3 m
Cell volume: 76287
Cell parameters: 42.4115; 42.4115; 42.4115; 90; 90; 90;  

COD ID: 4100675
CIF file Formula: - C18 H68 B3 F6 N12 O14 P -
Comments: Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex Journal of the American Chemical Society (2005)
Space group: P -4 3 m
Cell volume: 1181.67
Cell parameters: 10.5722; 10.5722; 10.5722; 90; 90; 90;  

COD ID: 4100676
CIF file Formula: - C20 H76 B3 Cl N12 O16 -
Comments: Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex Journal of the American Chemical Society (2005)
Space group: P -4 3 m
Cell volume: 1195.71
Cell parameters: 10.6139; 10.6139; 10.6139; 90; 90; 90;  

COD ID: 4106005
CIF file Formula: - C72 H72 N6 O22 Zn4 -
Comments: David J. Lun; Geoffrey I. N. Waterhouse; Shane G. Telfer A General Thermolabile Protecting Group Strategy for Organocatalytic Metal-Organic Frameworks Journal of the American Chemical Society 133 (2011) 5806-5809
Space group: P -4 3 m
Cell volume: 5055.2
Cell parameters: 17.1625; 17.1625; 17.1625; 90; 90; 90;  

COD ID: 4106006
CIF file Formula: - C57 H48 N6 O16 Zn4 -
Comments: David J. Lun; Geoffrey I. N. Waterhouse; Shane G. Telfer A General Thermolabile Protecting Group Strategy for Organocatalytic Metal-Organic Frameworks Journal of the American Chemical Society 133 (2011) 5806-5809
Space group: P -4 3 m
Cell volume: 5053
Cell parameters: 17.16; 17.16; 17.16; 90; 90; 90;  

COD ID: 4124708
CIF file Formula: - C2 N2 Zn -
Comments: Hoskins, B.F.; Robson, R. Design and construction of a class of scaffolding-like materials comprising infinite polymeric frameworks of 3Dlinked molecular rods. A reappraisal of the Zn (C N)2 and Cd (C N)2 structures and the synthesis and structure of the diamond-related frame Journal of the American Chemical Society 112 (1990) 1546-1554
Space group: P -4 3 m
Cell volume: 205.4
Cell parameters: 5.9002; 5.9002; 5.9002; 90; 90; 90;  

COD ID: 4124709
CIF file Formula: - C2 Cd N2 -
Comments: Hoskins, B.F.; Robson, R. Design and construction of a class of scaffolding-like materials comprising infinite polymeric frameworks of 3Dlinked molecular rods. A reappraisal of the Zn (C N)2 & Cd (C N)2 structures & the synthesis & structure of the diamond-related framew Journal of the American Chemical Society 112 (1990) 1546-1554
Space group: P -4 3 m
Cell volume: 250.166
Cell parameters: 6.301; 6.301; 6.301; 90; 90; 90;  

COD ID: 4125830
CIF file Formula: - Cd54 O4 Se80 -
Comments: Levchenko, Tetyana I.; Kübel, Christian; Khalili Najafabadi, Bahareh; Boyle, Paul D.; Cadogan, Carolyn; Goncharova, Lyudmila V.; Garreau, Alexandre; Lagugné-Labarthet, François; Huang, Yining; Corrigan, John F. Luminescent CdSe Superstructures: A Nanocluster Superlattice and a Nanoporous Crystal. Journal of the American Chemical Society 139(3) (2017) 1129-1144
Space group: P -4 3 m
Cell volume: 14548
Cell parameters: 24.412; 24.412; 24.412; 90; 90; 90;  

COD ID: 4303438
CIF file Formula: - As3 F4 Fe4 H9 O16 -
Comments: Zhuihui Yi; Chao Yang; Wujiong Xia; Xianzhu Xu; Xiao Zhang Formation of a 3D Porous Ferric Arsenate Containing Novel Cubane-like Fe4F4 Building Units Inorganic Chemistry 48 (2009) 9959-9961
Space group: P -4 3 m
Cell volume: 515.14
Cell parameters: 8.0163; 8.0163; 8.0163; 90; 90; 90;  

COD ID: 4308583
CIF file Formula: - C4 B Cu N4 -
Comments: Torsten Küppers; Eduard Bernhardt; Helge Willner; Henning W. Rohm; Martin Köckerling Tetracyanoborate Salts M[B(CN)4] with M = Singly Charged Cations: Properties and Structures Inorganic Chemistry 44 (2005) 1015-1022
Space group: P -4 3 m
Cell volume: 160.23
Cell parameters: 5.4314; 5.4314; 5.4314; 90; 90; 90;  

COD ID: 4308584
CIF file Formula: - C4 B Li N4 -
Comments: Torsten Küppers; Eduard Bernhardt; Helge Willner; Henning W. Rohm; Martin Köckerling Tetracyanoborate Salts M[B(CN)4] with M = Singly Charged Cations: Properties and Structures Inorganic Chemistry 44 (2005) 1015-1022
Space group: P -4 3 m
Cell volume: 164.702
Cell parameters: 5.4815; 5.4815; 5.4815; 90; 90; 90;  

COD ID: 4313295
CIF file Formula: - C36 H120 Br8 Co4 N24 Ni4 O30 -
Comments: Jenny Y. Yang; Matthew P. Shores; Jennifer J. Sokol; Jeffrey R. Long High-Nuclearity Metal-Cyanide Clusters: Synthesis, Magnetic Properties, and Inclusion Behavior of Open-Cage Species Incorporating [(tach)M(CN)3] (M = Cr, Fe, Co) Complexes Inorganic Chemistry 42 (2003) 1403-1419
Space group: P -4 3 m
Cell volume: 2354.81
Cell parameters: 13.3041; 13.3041; 13.3041; 90; 90; 90;  

COD ID: 4313297
CIF file Formula: - C36 H100 Br8 Co8 N24 O20 -
Comments: Jenny Y. Yang; Matthew P. Shores; Jennifer J. Sokol; Jeffrey R. Long High-Nuclearity Metal-Cyanide Clusters: Synthesis, Magnetic Properties, and Inclusion Behavior of Open-Cage Species Incorporating [(tach)M(CN)3] (M = Cr, Fe, Co) Complexes Inorganic Chemistry 42 (2003) 1403-1419
Space group: P -4 3 m
Cell volume: 2407.8
Cell parameters: 13.4032; 13.4032; 13.4032; 90; 90; 90;  

COD ID: 4314117
CIF file Formula: - K10 Mn4 S17 Sn4 -
Comments: Oleg Palchik; Ratnasabapathy G. Iyer; J. H. Liao; Mercouri G. Kanatzidis K10M4Sn4S17 (M = Mn, Fe, Co, Zn): Soluble Quaternary Sulfides with the Discrete [M4Sn4S17]10- Supertetrahedral Clusters Inorganic Chemistry 42 (2003) 5052-5054
Space group: P -4 3 m
Cell volume: 1019.3
Cell parameters: 10.064; 10.064; 10.064; 90; 90; 90;  

COD ID: 4314118
CIF file Formula: - Co4 K10 S17 Sn4 -
Comments: Oleg Palchik; Ratnasabapathy G. Iyer; J. H. Liao; Mercouri G. Kanatzidis K10M4Sn4S17 (M = Mn, Fe, Co, Zn): Soluble Quaternary Sulfides with the Discrete [M4Sn4S17]10- Supertetrahedral Clusters Inorganic Chemistry 42 (2003) 5052-5054
Space group: P -4 3 m
Cell volume: 980.1
Cell parameters: 9.9332; 9.9332; 9.9332; 90; 90; 90;  

COD ID: 4319583
CIF file Formula: - C6 H18.75 Cl1.75 N3 O9 Zn -
Comments: Jiang Xia; Yan Xu; Shu-an Li; Wei-yin Sun; Kai-bei Yu; Wen-xia Tang Carboxy Ester Hydrolysis Promoted by a Zinc(II) 2-[Bis(2-aminoethyl)amino]ethanol Complex: A New Model for Indirect Activation on the Serine Nucleophile by Zinc(II) in Zinc Enzymes Inorganic Chemistry 40 (2001) 2394-2401
Space group: P -4 3 m
Cell volume: 1525.9
Cell parameters: 11.5126; 11.5126; 11.5126; 90; 90; 90;  

COD ID: 4350344
CIF file Formula: - C2 H20.5 Ge7 N1.5 O21 -
Comments: Xu, Yan; Cheng, Liying; You, Wansheng Hydrothermal synthesis and structural characterizations of two new germanates with a novel topological framework and unusual Ge4(OH)4 cubane. Inorganic chemistry 45(19) (2006) 7705-7708
Space group: P -4 3 m
Cell volume: 458.65
Cell parameters: 7.7119; 7.7119; 7.7119; 90; 90; 90;  

COD ID: 4350345
CIF file Formula: - Ge7 H16 O22 -
Comments: Xu, Yan; Cheng, Liying; You, Wansheng Hydrothermal synthesis and structural characterizations of two new germanates with a novel topological framework and unusual Ge4(OH)4 cubane. Inorganic chemistry 45(19) (2006) 7705-7708
Space group: P -4 3 m
Cell volume: 457.48
Cell parameters: 7.7053; 7.7053; 7.7053; 90; 90; 90;  

COD ID: 4508352
CIF file Formula: - C120 H216 F120 K4 N24 O6 P20 -
Comments: Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids Crystal Growth & Design 13(10) (2013) 4615
Space group: P -4 3 m
Cell volume: 5580.95
Cell parameters: 17.73792; 17.73792; 17.73792; 90; 90; 90;  

COD ID: 4515448
CIF file Formula: - C H5 I3 N Pb -
Comments: Shao, Feng; Qin, Peng; Wang, Dong; Zhang, Guoqing; Wu, Bo; He, Jianqiao; Peng, Wei; Sum, Tze Chien; Wang, Deliang; Huang, Fuqiang Enhanced Photovoltaic Performance and Thermal Stability of CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Perovskite through Lattice Symmetrization. ACS applied materials & interfaces 11(1) (2019) 740-746
Space group: P -4 3 m
Cell volume: 250.39
Cell parameters: 6.3029; 6.3029; 6.3029; 90; 90; 90;  

COD ID: 5910056
CIF file Formula: - Bi F3 -
Comments: Wyckoff, R. W. G. Pages 260 from the second edition of Structure of Crystals by Wyckoff R W G. Published by The Chemical Catalog Company, INC, New York in 1931 & http://database.iem.ac.ru/mincryst The second edition of Structure of Crystals (1931) 260-260
Space group: P -4 3 m
Cell volume: 200.202
Cell parameters: 5.85; 5.85; 5.85; 90; 90; 90;  

COD ID: 5910165
CIF file Formula: - C12 Ni4 O18 P4 -
Comments: Wyckoff, R. W. G. Pages 91 & 92 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals 4 (1951) 91-92
Space group: P -4 3 m
Cell volume: 684.031
Cell parameters: 8.811; 8.811; 8.811; 90; 90; 90;  

COD ID: 6000532
CIF file Formula: - Ge7 H2.38 O16.69 Rb3 -
Comments: Roberts, M. A.; Fitch, A. N. The crystal structures of hydrated and partially dehydrated M(3)HGe(7)O(16).nH(2)O, (M=K, Rb, Cs), determined from powder diffraction data using synchrotron radiation Zeitschrift für Kristallographie 211(6) (1996) 378-387
Space group: P -4 3 m
Cell volume: 451.2
Cell parameters: 7.6699; 7.6699; 7.6699; 90; 90; 90;  

COD ID: 6000533
CIF file Formula: - Cs3 Ge7 H3.4 O16.7 -
Comments: Roberts, M. A.; Fitch, A. N. The crystal structures of hydrated and partially dehydrated M(3)HGe(7)O(16).nH(2)O, (M=K, Rb, Cs), determined from powder diffraction data using synchrotron radiation Zeitschrift für Kristallographie 211(6) (1996) 378-387
Space group: P -4 3 m
Cell volume: 462.51
Cell parameters: 7.7335; 7.7335; 7.7335; 90; 90; 90;  

COD ID: 6000537
CIF file Formula: - Ge7 H18.44 N3 O18.72 -
Comments: Roberts, M. A.; Fitch, A. N.; Chadwick, A. V. The crystal-structures of (NH4)(3)HGE7O16-center-dot-NH(2)O and Li4-XHXGe7O16-center-dot-NH(2)O determined from powder diffraction data using synchrotron-radiation Journal of Physics and Chemistry of Solids 56 (1995) 1353-1358
Space group: P -4 3 m
Cell volume: 458.44
Cell parameters: 7.7107; 7.7107; 7.7107; 90; 90; 90;  

COD ID: 6000538
CIF file Formula: - Ge7 H12.22 Li4 O21.61 -
Comments: Roberts, M. A.; Fitch, A. N.; Chadwick, A. V. The crystal-structures of (NH4)(3)HGE7O16-center-dot-NH(2)O and Li4-XHXGe7O16-center-dot-NH(2)O determined from powder diffraction data using synchrotron-radiation Journal of Physics and Chemistry of Solids 56 (1995) 1353-1358
Space group: P -4 3 m
Cell volume: 459.99
Cell parameters: 7.7194; 7.7194; 7.7194; 90; 90; 90;  

COD ID: 7062966
CIF file Formula: - B4 H16 Zr -
Comments: Burkmann, Konrad; Habermann, Franziska; Schumann, Erik; Kraus, Jakob; Störr, Bianca; Schmidt, Horst; Brendler, Erica; Seidel, Jürgen; Bohmhammel, Klaus; Kortus, Jens; Mertens, Florian Structural and thermodynamic investigations of Zr(BH4)4 and Hf(BH4)4 between 280 K and their decomposition temperatures New Journal of Chemistry 48(6) (2024) 2743-2754
Space group: P -4 3 m
Cell volume: 211.2
Cell parameters: 5.955; 5.955; 5.955; 90; 90; 90;  

COD ID: 7062967
CIF file Formula: - B4 H16 Hf -
Comments: Burkmann, Konrad; Habermann, Franziska; Schumann, Erik; Kraus, Jakob; Störr, Bianca; Schmidt, Horst; Brendler, Erica; Seidel, Jürgen; Bohmhammel, Klaus; Kortus, Jens; Mertens, Florian Structural and thermodynamic investigations of Zr(BH4)4 and Hf(BH4)4 between 280 K and their decomposition temperatures New Journal of Chemistry 48(6) (2024) 2743-2754
Space group: P -4 3 m
Cell volume: 210.2
Cell parameters: 5.946; 5.946; 5.946; 90; 90; 90;  

COD ID: 7105182
CIF file Formula: - C157 H260 N30 O72 Pd3 -
Comments: Liu, Yang; Zhang, Rong; He, Cheng; Dang, Dongbin; Duan, Chunying A palladium(II) triangle as building blocks of microporous molecular materials: structures and catalytic performance. Chemical communications (Cambridge, England) 46(5) (2010) 746-748
Space group: P -4 3 m
Cell volume: 29073
Cell parameters: 30.749; 30.749; 30.749; 90; 90; 90;  

COD ID: 7105183
CIF file Formula: - C157 H260 N30 O72 Pd3 -
Comments: Liu, Yang; Zhang, Rong; He, Cheng; Dang, Dongbin; Duan, Chunying A palladium(II) triangle as building blocks of microporous molecular materials: structures and catalytic performance. Chemical communications (Cambridge, England) 46(5) (2010) 746-748
Space group: P -4 3 m
Cell volume: 29073
Cell parameters: 30.749; 30.749; 30.749; 90; 90; 90;  

COD ID: 7107258
CIF file Formula: - C63 H39 N3 O22 Zn4 -
Comments: Rajesh K. Deshpande; Geoffrey I. N. Waterhouse; Geoffrey B. Jameson; Shane G. Telfer Photolabile protecting groups in metal-organic frameworks: preventing interpenetration and masking functional groups Chem.Commun. 48 (2012) 1574
Space group: P -4 3 m
Cell volume: 5098
Cell parameters: 17.2108; 17.2108; 17.2108; 90; 90; 90;  

COD ID: 7108459
CIF file Formula: - C52 H46 N2 O21 Zn4 -
Comments: Damien Rankine; Antonio Avellaneda; Matthew R. Hill; Christian J. Doonan; Christopher J. Sumby Control of framework interpenetration for in situ modified hydroxyl functionalised IRMOFs Chem.Commun. 48 (2012) 10328
Space group: P -4 3 m
Cell volume: 5020.2
Cell parameters: 17.1227; 17.1227; 17.1227; 90; 90; 90;  

COD ID: 7110180
CIF file Formula: - C48 H36 O19 Zn4 -
Comments: Sung Min Shin; Mi Sun Lee; Ji Hee Han; Nakcheol Jeong Assessing the guest-accessible volume in MOFs using two-photon fluorescence microscopy Chem.Commun. 50 (2014) 289
Space group: P -4 3 m
Cell volume: 5053.65
Cell parameters: 17.1607; 17.1607; 17.1607; 90; 90; 90;  

COD ID: 7131119
CIF file Formula: - C H6 I3 P Sn -
Comments: Zhang, Han-Yue; Xiong, Ren-Gen Three-dimensional narrow-bandgap perovskite semiconductor ferroelectric methylphosphonium tin triiodide for potential photovoltaic application. Chemical communications (Cambridge, England) 59(7) (2023) 920-923
Space group: P -4 3 m
Cell volume: 255.613
Cell parameters: 6.3464; 6.3464; 6.3464; 90; 90; 90;  

COD ID: 7209376
CIF file Formula: - Ag9 Ca8 Hg9 -
Comments: Puselj, M.; Ban, Z. Ternaere Gamma-Messing-Phasen in den Systemen Calcium-M (IB, IIB)-Hg Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 35 (1980) 1594-1595
Space group: P -4 3 m
Cell volume: 1382.47
Cell parameters: 11.14; 11.14; 11.14; 90; 90; 90;  

COD ID: 7209427
CIF file Formula: - Au9 Ca8 Hg9 -
Comments: Puselj, M.; Ban, Z. Ternaere Gamma-Messing-Phasen in den Systemen Calcium - M (IB, IIB) - Hg Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 35 (1980) 1594-1595
Space group: P -4 3 m
Cell volume: 1382.47
Cell parameters: 11.14; 11.14; 11.14; 90; 90; 90;  

COD ID: 7236563
CIF file Formula: - C H5 I3 N2 Pb -
Comments: Huang, Yuan; Li, Liang; Liu, Zonghao; Jiao, Haoyang; He, Yuqing; Wang, Xiaoge; Zhu, Rui; Wang, Dong; Sun, Junliang; Chen, Qi; Zhou, Huanping The intrinsic properties of FA(1−x)MAxPbI3 perovskite single crystals Journal of Materials Chemistry A 5(18) (2017) 8537
Space group: P -4 3 m
Cell volume: 258.365
Cell parameters: 6.3691; 6.3691; 6.3691; 90; 90; 90;  

COD ID: 7240461
CIF file Formula: - C240 H220.8 N96 O8 Zn24 -
Comments: Bumstead, Alice M.; Gómez, María Laura Ríos; Thorne, Michael Francis; Sapnik, Adam F.; Longley, Louis; Tuffnell, Joshua Mark; Keeble, Dean S.; Keen, David A.; Bennett, Thomas Douglas Investigating the Melting Behaviour of Polymorphic Zeolitic Imidazolate Frameworks CrystEngComm (2020)
Space group: P -4 3 m
Cell volume: 11672.4
Cell parameters: 22.684; 22.684; 22.684; 90; 90; 90;  

COD ID: 7708463
CIF file Formula: - C96 H132 Ce10 N12 O92 P12 -
Comments: Christou, George; Russell-Webster, Bradley; Lopez-Nieto, Javi; Abboud, Khalil A. Phosphorus-based Ligand Effects on the Structure and Radical Scavenging Ability of Molecular Nanoparticles of CeO2 Dalton Transactions (2021)
Space group: P -4 3 m
Cell volume: 4019.75
Cell parameters: 15.9001; 15.9001; 15.9001; 90; 90; 90;  

COD ID: 7710342
CIF file Formula: - C304 H414 Ce16 N74 O135 -
Comments: Lv, Xinjie; Zhao, Xiao-li; Zhao, Qixin; Zheng, Qi; Xuan, Weimin Cerium-Oxo clusters for photocatalytic aerobic oxygenation of sulfides to sulfoxides Dalton Transactions (2022)
Space group: P -4 3 m
Cell volume: 6751.6
Cell parameters: 18.9003; 18.9003; 18.9003; 90; 90; 90;  

COD ID: 8101225
CIF file Formula: - Cu3 Se4 V -
Comments: Klepp, Kurt O.; Gurtner, Doris Crystal structure of tricopper tetraselenidovanadate(V), Cu~3~VSe~4~ Zeitschrift für Kristallographie - New Crystal Structures 215(1) (2000) 4-4
Space group: P -4 3 m
Cell volume: 172.2
Cell parameters: 5.5636; 5.5636; 5.5636; 90; 90; 90;  

COD ID: 8103719
CIF file Formula: - Al6 Na8 O28 S Si6 -
Comments: Schulz, H. Struktur- und Ueberstrukturuntersuchungen an Nosean-Einkristallen Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 131 (1970) 114-138
Space group: P -4 3 m
Cell volume: 744.909
Cell parameters: 9.065; 9.065; 9.065; 90; 90; 90;  

COD ID: 8103961
CIF file Formula: - Ge7 H9 K3 O20 -
Comments: Bialek, R.; Gramlich, V. The superstructure of K3 H Ge7 O16 * 4(H2 O) Zeitschrift fuer Kristallographie (149,1979-) 198 (1992) 67-77
Space group: P -4 3 m
Cell volume: 458.136
Cell parameters: 7.709; 7.709; 7.709; 90; 90; 90;  

COD ID: 8104210
CIF file Formula: - Cu3 Fe0.5 Ge0.5 S4 -
Comments: de Jong, W.F. Studies of mineral sulpho-salts. VII A systematic arrangement on the basis of cell dimensions Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 73 (1930) 176-180
Space group: P -4 3 m
Cell volume: 148.036
Cell parameters: 5.29; 5.29; 5.29; 90; 90; 90;  

COD ID: 9000142
CIF file Formula: - Cu3 S4 V -
Comments: Trojer, F. J. Refinement of the structure of sulvanite Note: symmetry constraints on B(i,j) reported incorrectly American Mineralogist 51 (1966) 890-894
Space group: P -4 3 m
Cell volume: 156.695
Cell parameters: 5.3912; 5.3912; 5.3912; 90; 90; 90;  

COD ID: 9004225
CIF file Formula: - Fe4 N -
Comments: Bayliss, P. Revised unit cell dimensions, space group, and chemical formua of some metallic minerals Note: Fe and N positions switched to match formula Note: cell edge taken from Handbook of Mineralogy The Canadian Mineralogist 28 (1990) 751-755
Space group: P -4 3 m
Cell volume: 54.44
Cell parameters: 3.79; 3.79; 3.79; 90; 90; 90;  

COD ID: 9008130
CIF file Formula: - As3 Fe4 H20 O21 -
Comments: Buerger, M. J.; Dollase, W. A.; Garaycochea-Wittke I The structure and composition of the mineral pharmacosiderite Note: the K atom could not be located Zeitschrift fur Kristallographie 125 (1967) 92-108
Space group: P -4 3 m
Cell volume: 508.475
Cell parameters: 7.9816; 7.9816; 7.9816; 90; 90; 90;  

COD ID: 9008136
CIF file Formula: - Al4 B12 Be4 Cs O28 -
Comments: Taxer, K. J.; Buerger, M. J. The crystal struture of rhodizite Note: name of mineral altered according to IMA decision in 1999 to name the Cs dominant phase: londonite Zeitschrift fur Kristallographie 125 (1967) 423-436
Space group: P -4 3 m
Cell volume: 392.062
Cell parameters: 7.319; 7.319; 7.319; 90; 90; 90;  

COD ID: 9009563
CIF file Formula: - Al4 As3 H34 K O23 -
Comments: Zemann, J. Formel und strukturtyp des pharmakosiderits Tschermaks Mineralogische und Petrographische Mitteilungen 1 (1948) 1-13
Space group: P -4 3 m
Cell volume: 460.1
Cell parameters: 7.72; 7.72; 7.72; 90; 90; 90;  

COD ID: 9011052
CIF file Formula: - Pd17 Se15 -
Comments: Geller, S. The crystal structure of Pd17Se15 Sample: P-43m refinement Acta Crystallographica 15 (1962) 713-721
Space group: P -4 3 m
Cell volume: 1193.04
Cell parameters: 10.606; 10.606; 10.606; 90; 90; 90;  

COD ID: 9011552
CIF file Formula: - Al4 B12 Be4 Cs O28 -
Comments: Buerger, M. J.; Taxer, K. Rhodizite. Structure and composition Science 152 (1966) 500-502
Space group: P -4 3 m
Cell volume: 392.062
Cell parameters: 7.319; 7.319; 7.319; 90; 90; 90;  

COD ID: 9011797
CIF file Formula: - Al4 B11.35 Be4.56 Cs0.36 K0.46 Na0.02 O28 Rb0.06 -
Comments: Pring, A.; Din, V. K.; Jefferson, D. A.; Thomas, J. M. The crystal chemistry of rhodizite: a re-examination Mineralogical Magazine 50 (1986) 163-172
Space group: P -4 3 m
Cell volume: 391.902
Cell parameters: 7.318; 7.318; 7.318; 90; 90; 90;  

COD ID: 9011945
CIF file Formula: - As3 Fe4 H18 O23 -
Comments: Zemann, J. Formel und strukturtyp des pharmakosiderits Note: the K atom could not be located Tschermaks Mineralogische und Petrographische Mitteilungen 1 (1948) 1-13
Space group: P -4 3 m
Cell volume: 494.914
Cell parameters: 7.91; 7.91; 7.91; 90; 90; 90;  

COD ID: 9012195
CIF file Formula: - O2.338 U -
Comments: Lauriat, J. P.; Chevrier, G.; Boucherle, J. X. Space group of U4O9 in the beta phase Sample: P-43m refinement Journal of Solid State Chemistry 80(1) (1989) 80-93
Space group: P -4 3 m
Cell volume: 160.989
Cell parameters: 5.44; 5.44; 5.44; 90; 90; 90;  

COD ID: 9012315
CIF file Formula: - Bi F3 -
Comments: Hund, F.; Fricke, R. Der kristallbau von a-BiF3 Zeitschrift fur Anorganische und Allgemeine Chemie 258 (1949) 198-204
Space group: P -4 3 m
Cell volume: 200.51
Cell parameters: 5.853; 5.853; 5.853; 90; 90; 90;  

COD ID: 9012920
CIF file Formula: - As3 Fe4 H18 O23 -
Comments: Zemann, J. Uber die struktur des pharmakosiderits Note: the K atom could not be located Experientia 3 (1947) 452-452
Space group: P -4 3 m
Cell volume: 500.566
Cell parameters: 7.94; 7.94; 7.94; 90; 90; 90;  

COD ID: 9014147
CIF file Formula: - Al4 B10.8 Be4.84 Cs0.553 K0.332 O28 -
Comments: Pekov, I. V.; Yakubovich, O. V.; Massa, W.; Chukanov, N. V.; Kononkova, N. N.; Agakhanov, A. A.; Karpenko, V. Y. Londonite from the Urals, and new aspects of the crystal chemistry of the rhodozite-londonite series, Note: sample FMM-32135 The Canadian Mineralogist 48 (2010) 241-254
Space group: P -4 3 m
Cell volume: 391.404
Cell parameters: 7.3149; 7.3149; 7.3149; 90; 90; 90;  

COD ID: 9014210
CIF file Formula: - Al2.32 As3 Ba0.51 Fe1.68 H4 O18 -
Comments: Mills, S. J.; Rumsey, M. S.; Favreau, G.; Spratt, J.; Raudsepp, M.; Dini, M. Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile Mineralogical Magazine 75 (2011) 135-144
Space group: P -4 3 m
Cell volume: 483.737
Cell parameters: 7.85; 7.85; 7.85; 90; 90; 90;  

COD ID: 9014746
CIF file Formula: - Al3.12 As3 Ba0.51 Fe0.88 H4 O18.9 -
Comments: Mills, S. J.; Rumsey, M. S.; Favreau, G.; Spratt, J.; Raudsepp, M.; Dini, M. Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile Mineralogical Magazine 75 (2011) 135-144
Space group: P -4 3 m
Cell volume: 469.46
Cell parameters: 7.772; 7.772; 7.772; 90; 90; 90;  

COD ID: 9015040
CIF file Formula: - As3 Fe4 O21 -
Comments: Mills, S. J.; Hager, S. L.; Leverett, P.; Williams, P. A.; Raudsepp, M. The structure of H3O+ - exchanged pharmacosiderite Mineralogical Magazine 74 (2010) 487-492
Space group: P -4 3 m
Cell volume: 508.17
Cell parameters: 7.98; 7.98; 7.98; 90; 90; 90;  

COD ID: 9015597
CIF file Formula: - Al4 B10.68 Be5.32 Cs0.34 K0.34 O28 Rb0.17 -
Comments: Gatta, G. D.; Vignola, P.; McIntyre, G. J.; Diella, V. On the crystal chemistry of londonite [(Cs,K,Rb)Al4Be5B11O28]: a single-crystal neutron diffraction study at 300 and 20 K Note: neutron diffraction study at T = 300 K American Mineralogist 95 (2010) 1467-1472
Space group: P -4 3 m
Cell volume: 390.586
Cell parameters: 7.3098; 7.3098; 7.3098; 90; 90; 90;  

COD ID: 9016218
CIF file Formula: - Al0.04 As2.16 Ba0.468 Fe3.96 H9.04 K0.039 Na0.021 O18.52 P0.84 -
Comments: Hager, S. L.; Leverett, P.; Williams, P. A.; Mills, S. J.; Hibbs, D. E.; Raudsepp, M.; Kampf, A. R.; Birch, W. D. The single-crystal X-ray structures of bariopharmacosiderite-C, bariopharmacosiderite-Q and natropharmacosiderite Note: sample Bariopharmacosiderite-C The Canadian Mineralogist 48 (2010) 1477-1485
Space group: P -4 3 m
Cell volume: 500.945
Cell parameters: 7.942; 7.942; 7.942; 90; 90; 90;  

COD ID: 9016253
CIF file Formula: - As3 Fe4 H10.8 K0.39 O19.1 -
Comments: Mills, S. J.; Kampf, A. R.; Williams, P. A.; Leverett, P.; Poirier, G.; Raudsepp, M.; Francis, C. A. Hydroniumpharmacosiderite, a new member of the pharmacosiderite supergroup from Cornwall, UK: structure and description Mineralogical Magazine 74 (2010) 863-869
Space group: P -4 3 m
Cell volume: 504.111
Cell parameters: 7.9587; 7.9587; 7.9587; 90; 90; 90;  

COD ID: 9016296
CIF file Formula: - As3 Ba0.108 Fe4 H11.96 K0.138 Na0.75 O19.98 -
Comments: Hager, S. L.; Leverett, P.; Williams, P. A.; Mills, S. J.; Hibbs, D. E.; Raudsepp, M.; Kampf, A. R.; Birch, W. D. The single-crystal X-ray structures of bariopharmacosiderite-C, bariopharmacosiderite-Q and natropharmacosiderite The Canadian Mineralogist 48 (2010) 1477-1485
Space group: P -4 3 m
Cell volume: 498.3
Cell parameters: 7.928; 7.928; 7.928; 90; 90; 90;  

COD ID: 9016309
CIF file Formula: - As3 Fe4 O21.5 -
Comments: Mills, S. J.; Hager, S. L.; Leverett, P.; Williams, P. A.; Raudsepp, M. The structure of H3O+ - exchanged pharmacosiderite Mineralogical Magazine 74 (2010) 487-492
Space group: P -4 3 m
Cell volume: 508.552
Cell parameters: 7.982; 7.982; 7.982; 90; 90; 90;  

COD ID: 9016561
CIF file Formula: - Al4 B10.68 Be5.32 Cs0.34 K0.34 O28 Rb0.17 -
Comments: Gatta, G. D.; Vignola, P.; McIntyre, G. J.; Diella, V. On the crystal chemistry of londonite [(Cs,K,Rb)Al4Be5B11O28]: a single-crystal neutron diffraction study at 300 and 20 K Note: neutron diffraction study at T = 20 K American Mineralogist 95 (2010) 1467-1472
Space group: P -4 3 m
Cell volume: 390.522
Cell parameters: 7.3094; 7.3094; 7.3094; 90; 90; 90;  

COD ID: 9016693
CIF file Formula: - Al4 As3 H10.416 K0.222 Na0.57 O19.104 -
Comments: Rumsey, M. S.; Mills, S. J.; Spratt, J. Natropharmacoalumite, NaAl4[(OH)4(AsO4)3]*4H2O, a new mineral of the pharmacosiderite supergroup and the renaming of aluminopharmacosiderite to pharmacoalumite Mineralogical Magazine 74 (2010) 929-936
Space group: P -4 3 m
Cell volume: 461.531
Cell parameters: 7.728; 7.728; 7.728; 90; 90; 90;  

COD ID: 9017845
CIF file Formula: - Fe21 H O33 -
Comments: Sinha, K. P.; Sinha, A. P. B. Ein Fehlstellenuberstruktur - Modell fur gamma-Fe2O3 Zeitschrift fur Anorganische und Allgemeine Chemie 293 (1957) 228-232
Space group: P -4 3 m
Cell volume: 582.183
Cell parameters: 8.35; 8.35; 8.35; 90; 90; 90;  


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