Crystallography Open Database

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Searching space group like 'P 3 1 2'

COD ID: 1011216
CIF file Formula: - Fe2 N -
Comments: Hendricks, S. B.; Kosting, P. R. The crystal structure of Fe2P, Fe2N, Fe3N and FeB Locality: synthetic Note: forms solid solution with siderazot Zeitschrift fur Kristallographie 74 (1930) 511-533
Space group: P 3 1 2
Cell volume: 87.9
Cell parameters: 4.793; 4.793; 4.417; 90; 90; 120;  

COD ID: 1011217
CIF file Formula: - Fe3 N -
Comments: Hendricks, S B; Kosting, P R The crystal structure of Fe2 P, Fe2 N, Fe3 N and Fe B. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 74 (1930) 511-533
Space group: P 3 1 2
Cell volume: 82.3
Cell parameters: 4.668; 4.668; 4.362; 90; 90; 120;  

COD ID: 1510798
CIF file Formula: - B2 O4.5 Pb1.5 -
Comments: Al'-Ama, A.G.; Stefanovich, S.Yu.; Belokoneva, E.L.; Kurazhkovskaya, V.S.; Dimitrova, O.V.; Kabalov, Yu.K. New oxygen- and lead-deficient lead borate Pb(I)0.9 Pb(II)0.6 (B O2.25)2 = 2 Pb0.75 (B O2.25) and its relation to aragonite and calcite structures Kristallografiya 47 (2002) 24-29
Space group: P 3 1 2
Cell volume: 134.211
Cell parameters: 4.9253; 4.9253; 6.3884; 90; 90; 120;  

COD ID: 1522217
CIF file Formula: - Ge O6 Sr Te -
Comments: Woodward, P.M.; Sleight, A.W.; Grey, C.P.; Du, L.-S. Structural studies and order-disorder phenomenon in a series of new quaternary tellurates of the type A(2+) M(4+) Te(6+) O6 and A(1+)2 M(4+) Te(6+) O6 Journal of Solid State Chemistry 147 (1999) 99-116
Space group: P 3 1 2
Cell volume: 120.092
Cell parameters: 5.06566; 5.06566; 5.40394; 90; 90; 120;  

COD ID: 1522219
CIF file Formula: - Ba Ge O6 Te -
Comments: Woodward, P.M.; Sleight, A.W.; Du, L.-S.; Grey, C.P. Structural studies and order-disorder phenomenon in a series of new quaternary tellurates of the type A(2+) M(4+) Te(6+) O6 and A(1+)2 M(4+) Te(6+) O6 Journal of Solid State Chemistry 147 (1999) 99-116
Space group: P 3 1 2
Cell volume: 260.32
Cell parameters: 5.09496; 5.09496; 11.57963; 90; 90; 120;  

COD ID: 1528711
CIF file Formula: - O6 Pb Sb2 -
Comments: Magneli, A. The crystal structure of lead metantimonate and isomorphous compounds Arkiv foer Kemi, Mineralogi och Geologi, B 15 (1941) 1-6
Space group: P 3 1 2
Cell volume: 130.657
Cell parameters: 5.298; 5.298; 5.375; 90; 90; 120;  

COD ID: 1529520
CIF file Formula: - C6 Au3 Co K N6 -
Comments: Abrahams, S.C.; Bernstein, J.L.; Eisenmann, E.T.; Liminga, R. Piezoelectric K Co (Au (C N)2)3: Room temperature crystal structure of cobalt-hardened gold electrodeposition process component Journal of Chemical Physics 73 (1980) 4585-4590
Space group: P 3 1 2
Cell volume: 315.256
Cell parameters: 6.82802; 6.82802; 7.80807; 90; 90; 120;  

COD ID: 1530197
CIF file Formula: - U V2 -
Comments: Kovba, L.M.; Wang Shihua; Sirotkina, E.I. About the interaction of uranium oxide with oxides of vanadium and niobium Doklady Akademii Nauk SSSR 148 (1963) 113-115
Space group: P 3 1 2
Cell volume: 102.373
Cell parameters: 4.986; 4.986; 4.755; 90; 90; 120;  

COD ID: 1530450
CIF file Formula: - D0.1 O0.4 Zr -
Comments: Mukawa, S.; Hirabayashi, M.; Kajitani, T. Site occupation and local mode of hydrogen in Zr O0.4 studied by time-of-flight neutron scattering Journal of the Less-Common Metals 103 (1984) 19-26
Space group: P 3 1 2
Cell volume: 143.453
Cell parameters: 5.6327; 5.6327; 5.2209; 90; 90; 120;  

COD ID: 1530588
CIF file Formula: - Fe3 N -
Comments: Pinsker, Z.G.; Kaverin, S.V. The electron diffraction analysis of the structure of the hexagonal iron nitrides Doklady Akademii Nauk SSSR 96 (1954) 519-522
Space group: P 3 1 2
Cell volume: 87.591
Cell parameters: 4.789; 4.789; 4.41; 90; 90; 120;  

COD ID: 2013107
CIF file

HKL data

Original IUCr paper

 Formula: - C6 Ag3 K Mn N6 -
Comments: Geiser, Urs; Schlueter, John A. KMnAg~3~(CN)~6~, a new triply interpenetrating network solid Acta Crystallographica Section C 59(3) (2003) i21-i23
Space group: P 3 1 2
Cell volume: 338.03
Cell parameters: 6.9219; 6.9219; 8.1465; 90; 90; 120;  

COD ID: 2103340
CIF file

Original IUCr paper

 Formula: - C77 H69 Co F6 N3 O2 P7 Pd2 -
Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899
Space group: P 3 1 2
Cell volume: 2418.97
Cell parameters: 15.5079; 15.5079; 11.6143; 90; 90; 120;  

COD ID: 2310869
CIF file Formula: - Fe3 N -
Comments: Jack, K.H. The iron - nitrogen system. The crystal structures of epsilon-phase iron nitrides Acta Crystallographica (1,1948-23,1967) 5 (1952) 404-411
Space group: P 3 1 2
Cell volume: 84.633
Cell parameters: 4.716; 4.716; 4.394; 90; 90; 120;  

COD ID: 2310870
CIF file Formula: - Fe2 N -
Comments: Jack, K.H. The iron - nitrogen system. The crystal structures of epsilon-phase iron nitrides Acta Crystallographica (1,1948-23,1967) 5 (1952) 404-411
Space group: P 3 1 2
Cell volume: 87.716
Cell parameters: 4.787; 4.787; 4.42; 90; 90; 120;  

COD ID: 2310871
CIF file Formula: - Fe24 N10 -
Comments: Jack, K.H. The iron - nitrogen system. The crystal structures of epsilon-phase iron nitrides Acta Crystallographica (1,1948-23,1967) 5 (1952) 404-411
Space group: P 3 1 2
Cell volume: 319.456
Cell parameters: 9.215; 9.215; 4.344; 90; 90; 120;  

COD ID: 4000973
CIF file Formula: - Fe3 N1.08 -
Comments: Niewa, Rainer; Rau, Dieter; Wosylus, Aron; Meier, Katrin; Hanfland, Michael; Wessel, Michael; Dronskowski, Richard; Dzivenko, Dmytro A.; Riedel, Ralf; Schwarz, Ulrich High-Pressure, High-Temperature Single-Crystal Growth, Ab initio Electronic Structure Calculations, and Equation of State of ε-Fe3N1+x Chemistry of Materials 21(2) (2009) 392
Space group: P 3 1 2
Cell volume: 84.773
Cell parameters: 4.7241; 4.7241; 4.3862; 90; 90; 120;  

COD ID: 4104124
CIF file Formula: - C6 Au3 Cd K N6 -
Comments: Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff Impact of Metallophilicity on "Colossal" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers Journal of the American Chemical Society 131 (2009) 4866-4871
Space group: P 3 1 2
Cell volume: 334.98
Cell parameters: 6.8576; 6.8576; 8.2251; 90; 90; 120;  

COD ID: 4104125
CIF file Formula: - C6 Au3 Cd K N6 -
Comments: Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff Impact of Metallophilicity on "Colossal" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers Journal of the American Chemical Society 131 (2009) 4866-4871
Space group: P 3 1 2
Cell volume: 329.353
Cell parameters: 6.7652; 6.7652; 8.3094; 90; 90; 120;  

COD ID: 4104126
CIF file Formula: - C6 Au3 Cd K N6 -
Comments: Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff Impact of Metallophilicity on "Colossal" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers Journal of the American Chemical Society 131 (2009) 4866-4871
Space group: P 3 1 2
Cell volume: 332.075
Cell parameters: 6.8107; 6.8107; 8.2665; 90; 90; 120;  

COD ID: 4104127
CIF file Formula: - C6 Au3 Cd K N6 -
Comments: Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff Impact of Metallophilicity on "Colossal" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers Journal of the American Chemical Society 131 (2009) 4866-4871
Space group: P 3 1 2
Cell volume: 337.92
Cell parameters: 6.9098; 6.9098; 8.1724; 90; 90; 120;  

COD ID: 4117620
CIF file Formula: - C6 Ag3 K Mn N6 -
Comments: Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3 Journal of the American Chemical Society 134 (2012) 4454-4456
Space group: P 3 1 2
Cell volume: 337.12
Cell parameters: 6.9154; 6.9154; 8.1399; 90; 90; 120;  

COD ID: 4117621
CIF file Formula: - C6 Ag3 K Mn N6 -
Comments: Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3 Journal of the American Chemical Society 134 (2012) 4454-4456
Space group: P 3 1 2
Cell volume: 335.71
Cell parameters: 6.8904; 6.8904; 8.1649; 90; 90; 120;  

COD ID: 4117622
CIF file Formula: - C6 Ag3 K Mn N6 -
Comments: Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3 Journal of the American Chemical Society 134 (2012) 4454-4456
Space group: P 3 1 2
Cell volume: 334.35
Cell parameters: 6.866; 6.866; 8.1895; 90; 90; 120;  

COD ID: 4117623
CIF file Formula: - C6 Ag3 K Mn N6 -
Comments: Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3 Journal of the American Chemical Society 134 (2012) 4454-4456
Space group: P 3 1 2
Cell volume: 333.1
Cell parameters: 6.8431; 6.8431; 8.2137; 90; 90; 120;  

COD ID: 4117624
CIF file Formula: - C6 Ag3 K Mn N6 -
Comments: Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3 Journal of the American Chemical Society 134 (2012) 4454-4456
Space group: P 3 1 2
Cell volume: 331.86
Cell parameters: 6.8214; 6.8214; 8.2353; 90; 90; 120;  

COD ID: 4130627
CIF file Formula: - C82 H79 Cu2 P6 -
Comments: Zall, Christopher M.; Linehan, John C.; Appel, Aaron M. Triphosphine-Ligated Copper Hydrides for CO2 Hydrogenation: Structure, Reactivity, and Thermodynamic Studies. Journal of the American Chemical Society 138(31) (2016) 9968-9977
Space group: P 3 1 2
Cell volume: 6588.5
Cell parameters: 21.6406; 21.6406; 16.2448; 90; 90; 120;  

COD ID: 4301650
CIF file Formula: - Ga2.41 Sm0.86 -
Comments: Monique Tillard; David Zitoun; Claude Belin Structural Versatility of the ε-SmGax Phase: X-Ray, Electron Diffraction, and DFT Studies Inorganic Chemistry 48 (2009) 2399-2406
Space group: P 3 1 2
Cell volume: 201.29
Cell parameters: 7.4236; 7.4236; 4.2176; 90; 90; 120;  

COD ID: 4305407
CIF file Formula: - C6 H30 Ge2 N6 O6 -
Comments: Felipe Gándara; Manuela E. Medina; Natalia Snejko; Berta Gómez-Lor; Marta Iglesias; Enrique Gutiérrez-Puebla; M. Angeles Monge Two-Dimensional Hybrid Germanium Zeotype Formed by Selective Coordination of the trans-1,2-Diaminocyclohexane Isomer to the Ge Atom: Heterogeneous Acid-Base Bifunctional Catalyst Inorganic Chemistry 47 (2008) 6791-6795
Space group: P 3 1 2
Cell volume: 363.25
Cell parameters: 9.2324; 9.2324; 4.9209; 90; 90; 120;  

COD ID: 7017987
CIF file Formula: - C48 H74 Eu N11 O25 -
Comments: Zheng, Xiao-Dan; Zhang, Mei; Jiang, Long; Lu, Tong-Bu A pair of 3D homochiral metal-organic frameworks: spontaneous resolution, single-crystal-to-single-crystal transformation and selective adsorption properties. Dalton transactions (Cambridge, England : 2003) 41(6) (2012) 1786-1791
Space group: P 3 1 2
Cell volume: 1666.1
Cell parameters: 12.488; 12.488; 12.336; 90; 90; 120;  

COD ID: 7248991
CIF file Formula: - C6 Au3 Cd K N6 -
Comments: Mojica, R.; Vázquez, M C; Torres, A. E.; Avila, Y.; Borja-Urby, R; Rodríguez-Hernández, J; Reguera, E. A first principles study of the electronic structure and optical response of heterobimetallic M-dicyanoaurate-based coordination polymers (M = Mn, Co, Ni, Zn and Cd). Physical chemistry chemical physics : PCCP 26(30) (2024) 20576-20584
Space group: P 3 1 2
Cell volume: 335.19
Cell parameters: 6.8645; 6.8645; 8.2138; 90; 90; 120;  

COD ID: 9017839
CIF file Formula: - Al0.89 Fe0.11 K O8 S2 -
Comments: Murashko, M. N.; Pekov, I. V.; Krivovichev, S. V.; Chernyatyeava, A. P.; Yapaskurt, V. O.; Zadov, A. E.; Zelensky, M. E. Steklite, KAl(SO4)2: the find at Tolbachik volcano (Kamchatka, Russia). Validation as a mineral species and crystal structure Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva 141 (2012) 36-44
Space group: P 3 1 2
Cell volume: 154.756
Cell parameters: 4.7281; 4.7281; 7.9936; 90; 90; 120;  


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