Crystallography Open Database

Result : There are 30 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

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: 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;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.