Crystallography Open Database

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Searching space group like 'P 1 1 21/n'

COD ID: 1510096
CIF file Formula: - Au Cl5 S -
Comments: Lapko, V.F.; Rybakov, V.B.; Volkov, S.V.; Fokina, Z.A.; Aslanov, L.A. Crystal structure of product of interaction of AuCl3 and SCl2 Zhurnal Neorganicheskoi Khimii 36 (1991) 2534-2535
Space group: P 1 1 21/n
Cell volume: 773.282
Cell parameters: 8.067; 11.846; 8.27; 90; 90; 101.91;  

COD ID: 1525808
CIF file Formula: - Be Cs F4 Li -
Comments: Chung, S.J.; Hahn, T. Tetrahedral-framework structures of (N H4) Li Be F4 and Cs Li Be F4 Materials Research Bulletin 7 (1972) 1209-1218
Space group: P 1 1 21/n
Cell volume: 437.719
Cell parameters: 9.306; 5.383; 8.738; 90; 90; 89.75;  

COD ID: 1526519
CIF file Formula: - Fe2 O4 Sr -
Comments: Kahlenberg, V.; Fischer, R.X. Structural characterization of strontium monoferrite Sr Fe2 O4, a new stuffed framework compound Solid State Sciences 3 (2001) 433-439
Space group: P 1 1 21/n
Cell volume: 801.956
Cell parameters: 8.1098; 9.1177; 10.8495; 90; 90; 91.53;  

COD ID: 1529565
CIF file Formula: - Cd2 O17 P6 -
Comments: Antsyshkina, A.S.; Porai-Koshits, M.A.; Minacheva, L.Kh.; Ivanova, V.C. Crystal structure of cadmium ultraphosphate Cd2 P6 O17. Structural patterns of phosphorus-oxygen anions in ultraphosphates Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 5 (1979) 268-275
Space group: P 1 1 21/n
Cell volume: 700.211
Cell parameters: 7.566; 5.486; 18.082; 90; 90; 111.1;  

COD ID: 1529704
CIF file Formula: - F6 H4 O2 Sr Ti -
Comments: Bukvetskii, B.V.; Simonov, V.I.; Simonov, M.A.; Muradyan, L.A. Refinement of the crystal structure of strontium hexafluorotitanate dihydrate Sr Ti F6 (H2 O)2 Kristallografiya 24 (1979) 29-37
Space group: P 1 1 21/n
Cell volume: 641.156
Cell parameters: 5.997; 11.109; 9.753; 90; 90; 99.33;  

COD ID: 1530193
CIF file Formula: - H O11 Si3 Y3 -
Comments: Kornev, A.N.; Maksimov, B.A.; Batalieva, N.G.; Ilyukhin, V.V.; Belov, N.V. Crystalline structure of Thalenit Y3 (Si3 O10) (O H) Doklady Akademii Nauk SSSR 202 (1972) 1324-1327
Space group: P 1 1 21/n
Cell volume: 830.815
Cell parameters: 10.343; 7.294; 11.093; 90; 90; 96.9;  

COD ID: 1530214
CIF file Formula: - Li O4 Rb S -
Comments: Kruglik, A.I.; Misjul', S.V.; Simonov, M.A. Crystal structure of double lithium-rubidium sulfate Kristallografiya 24 (1979) 582-585
Space group: P 1 1 21/n
Cell volume: 421.775
Cell parameters: 9.118; 5.294; 8.738; 90; 90; 89.53;  

COD ID: 1530676
CIF file Formula: - H40 La2 O48 V10 -
Comments: Saf'yanov, Yu.N.; Kuz'min, E.A.; Belov, N.V. Crystal structure of lanthanum decavanadate La2 V10 O28 (H2 O)20 Doklady Akademii Nauk SSSR 242 (1978) 603-605
Space group: P 1 1 21/n
Cell volume: 2120.04
Cell parameters: 11.134; 16.18; 12.018; 90; 90; 101.7;  

COD ID: 1530807
CIF file Formula: - C H6 I N3 O3 -
Comments: Sorokina, N.I.; Ilyukhin, V.V.; Belov, N.V. The crystal structure of guanido iodate C (N H2)3 I O3 Doklady Akademii Nauk SSSR 236 (1977) 1361-1363
Space group: P 1 1 21/n
Cell volume: 1188.21
Cell parameters: 7.374; 10.281; 15.763; 90; 90; 96.12;  

COD ID: 1531123
CIF file Formula: - H In O8 P2 Pb -
Comments: Belokoneva, E.L.; Gurbanova, O.A.; Dimitrova, O.V.; Al'-Ama, A.G.; Stefanovich, S.Yu. Synthesis and crystal structure of the new indium lead phosphate Pb In (P O4) (P O3 (OH)) Zhurnal Neorganicheskoi Khimii 46 (2001) 1121-1126
Space group: P 1 1 21/n
Cell volume: 651.129
Cell parameters: 9.666; 6.66; 10.73; 90; 90; 109.5;  

COD ID: 1531215
CIF file Formula: - B5 H2 O10.5 Pb2 -
Comments: Borisova, T.A.; Dimitrova, O.V.; Belokoneva, E.L. A new centrosymmetric modification of synthetic hilgardite Pb2 (B5 O9) (O H) * 0.5(H2 O) Kristallografiya 47 (2002) 435-438
Space group: P 1 1 21/n
Cell volume: 866.892
Cell parameters: 11.32; 6.632; 11.549; 90; 90; 91.03;  

COD ID: 1531486
CIF file Formula: - B H In Na O9 P2 -
Comments: Gurbanova, O.A.; Belokoneva, E.L.; Dimitrova, O.V. Synthesis and crystal strucutre of the new borophosphate Na In (B P2 O8 (O H)) Zhurnal Neorganicheskoi Khimii 47 (2002) 10-13
Space group: P 1 1 21/n
Cell volume: 670.295
Cell parameters: 5.182; 7.696; 16.85; 90; 90; 94.07;  

COD ID: 1533448
CIF file Formula: - C6 H20 Cl4 Hg N2 -
Comments: Amami, M.; Sebald, A.; van Smaalen, S.; Ben Salah, A.; Helluy, X. Structural investigation of trimethylammonium tetrachloromercurate Journal of Solid State Chemistry 177 (2004) 2961-2970
Space group: P 1 1 21/n
Cell volume: 1478.06
Cell parameters: 18.36; 6.164; 13.07; 90; 90; 92.2;  

COD ID: 1533544
CIF file Formula: - Br4 Rb2 Zn -
Comments: Asahi, T.; Hasebe, K. X-ray study of Rb2 Zn Br4 under high pressure Journal of the Physical Society of Japan 71 (2002) 2925-2929
Space group: P 1 1 21/n
Cell volume: 921.2
Cell parameters: 7.423; 13.017; 9.534; 90; 90; 90.42;  

COD ID: 1533573
CIF file Formula: - Mn0.333 O2 Ta0.667 -
Comments: Tarakina, N.V.; Zainulin, Yu.G.; Tyutyunnik, A.P.; Zubkov, V.G.; Svensson, G.; Hannerz, H.; D'yachkova, T.V. High temperature - high pressure synthesis and crystal structure of the incommensurately modulated, alpha-(Pb O2) related, compound Mn Ta2 O6 Solid State Sciences 5 (2003) 983-994
Space group: P 1 1 21/n
Cell volume: 140.451
Cell parameters: 4.7472; 5.7453; 5.1496; 90; 90; 90.023;  

COD ID: 1534829
CIF file Formula: - Co H6 O8 Se2 -
Comments: Gulya, A.P.; Biyushkin, V.N.; Shova, S.G.; Rudik, V.F.; Antosyak, B.M. Molecular and crystal structure of cobalt(II) hydroselenite dihydrate Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 20 (1994) 368-370
Space group: P 1 1 21/n
Cell volume: 354.897
Cell parameters: 7.985; 7.096; 6.814; 90; 90; 113.19;  

COD ID: 1537603
CIF file Formula: - Cl10 Pd Te2 -
Comments: Rybakov, V.B.; Pekhn'o, V.I.; Aslanov, L.A.; Volkov, S.V.; Grafov, A.V.; Fokina, Z.A. X-ray structural study of palladium(II) chlorochalcogenide complexes. Zhurnal Neorganicheskoi Khimii 36 (1991) 1197-1201
Space group: P 1 1 21/n
Cell volume: 1521.7
Cell parameters: 15.35; 13.813; 7.177; 90; 90; 90.39;  

COD ID: 1538534
CIF file Formula: - Ga3 H4 Na O12 P2 -
Comments: Ruchkina, E.A.; Dimitrova, O.V.; Belokoneva, E.L. Gallium analogue of brazilianite Na Ga3 (P O4)2 (O H)4: synthesis and crystal structure Zhurnal Neorganicheskoi Khimii 48 (2003) 720-723
Space group: P 1 1 21/n
Cell volume: 855.591
Cell parameters: 11.506; 7.27; 10.32; 90; 90; 97.64;  

COD ID: 1540822
CIF file Formula: - Cs Dy H6 N4 O15 -
Comments: Vigdorchik, A.G.; Malinovskii, Yu.A.; Dryuchko, A.G. Synthesis and crystal sructure of cesium dysprosium nitrate Cs (Dy (N O3)4 (H2 O)2) (H2 O) Kristallografiya 34 (1989) 1396-1399
Space group: P 1 1 21/n
Cell volume: 1372.68
Cell parameters: 10.859; 11.217; 11.887; 90; 90; 108.55;  

COD ID: 1541723
CIF file Formula: - Fe0.2 Na O4 P Zn0.8 -
Comments: Plakhov, G.F.; Belov, N.V. Refined crystal structure of the Zn(Fe) analog of beryllonite allowing for anisotropy of atomic thermal vibrations; comparison with hurlbutite Kristallografiya 23 (1978) 709-715
Space group: P 1 1 21/n
Cell volume: 1070.38
Cell parameters: 8.717; 15.267; 8.043; 90; 90; 90.2;  

COD ID: 2005048
CIF file

Original IUCr paper

 Formula: - C8 H26 Cl2 Cu N10 O2 -
Comments: Lemoine, P.; Chiadmi, M.; Bissery, V.; Tomas, A.; Viossat, B. Les Composés de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^ Acta Crystallographica Section C 52(6) (1996) 1430-1436
Space group: P 1 1 21/n
Cell volume: 893.2
Cell parameters: 15.059; 5.153; 11.57; 90; 90; 95.83;  

COD ID: 2103850
CIF file

Original IUCr paper

 Formula: - C13 H36 Si4 -
Comments: Wunschel, Markus; Dinnebier, Robert E.; Carlson, Stefan; Bernatowicz, Piotr; van Smaalen, Sander Influence of the molecular structures on the high-pressure and low-temperature phase transitions of plastic crystals Acta Crystallographica Section B 59(1) (2003) 60-71
Space group: P 1 1 21/n
Cell volume: 4172.5
Cell parameters: 17.317; 15.598; 16.385; 90; 90; 109.477;  

COD ID: 2103851
CIF file

Original IUCr paper

 Formula: - C14 H36 Si3 -
Comments: Wunschel, Markus; Dinnebier, Robert E.; Carlson, Stefan; Bernatowicz, Piotr; van Smaalen, Sander Influence of the molecular structures on the high-pressure and low-temperature phase transitions of plastic crystals Acta Crystallographica Section B 59(1) (2003) 60-71
Space group: P 1 1 21/n
Cell volume: 3891.6
Cell parameters: 17.0089; 15.3159; 15.9325; 90; 90; 110.343;  

COD ID: 2107190
CIF file Formula: - Li O4 Rb S -
Comments: Tanisaki, S.; Mashiyama, H.; Shiroishi, Y.; Hasebe, K.; Sawada, S. Room-temperature phase of lithium rubidium sulphate Acta Crystallographica B (24,1968-38,1982) 36 (1980) 3084-3085
Space group: P 1 1 21/n
Cell volume: 420.373
Cell parameters: 5.288; 9.105; 8.731; 90; 90; 90.09;  

COD ID: 2201553
CIF file

Original IUCr paper

 Formula: - C6 H20 Cl4 Hg N2 -
Comments: Amami, Mongi; Van Smaalen, Sander; Ben Salah, Abdelhamid Bis(trimethylammonium) tetrachloromercurate(II) at 343K Acta Crystallographica Section E 58(8) (2002) m416-m419
Space group: P 1 1 21/n
Cell volume: 1542.9
Cell parameters: 18.741; 6.302; 13.069; 90; 90; 91.68;  

COD ID: 4107480
CIF file Formula: - C16.73 H18.91 B0.36 Cl0.36 Fe0.36 N2.18 O0.36 -
Comments: Ismael Nieto; Feizhi Ding; Ranko P. Bontchev; Haobin Wang; Jeremy M. Smith Thermodynamics of Hydrogen Atom Transfer to a High-Valent Iron Imido Complex Journal of the American Chemical Society 130 (2008) 2716-2717
Space group: P 1 1 21/n
Cell volume: 4724.3
Cell parameters: 12.0086; 15.2553; 27.7796; 90; 90; 68.174;  

COD ID: 4123981
CIF file Formula: - Fe I N2 O2 -
Comments: Dahl, L.F.; Feltham, R.D.; de Gil, E.R. The solid-state structures of dinitrosyliron iodide and dinitrosylcobalt iodide: the stereochemical consequences of strong metal-metal interactions in ligand-bridged complexes Journal of the American Chemical Society 91 (1969) 1653-1664
Space group: P 1 1 21/n
Cell volume: 1014.36
Cell parameters: 12.3; 12.57; 6.98; 90; 90; 109.96;  

COD ID: 4343681
CIF file Formula: - C10 N2 O12 Ru3 -
Comments: Norton, J.R.; Collman, J.P.; Robinson, W.T.; Dolcetti, G. The preparation and structure of ruthenium and osmium nitrosyl carbonyl clusters containing double-nitrosyl bridges Inorganic Chemistry 11 (1972) 382-388
Space group: P 1 1 21/n
Cell volume: 1758.77
Cell parameters: 7.639; 9.231; 26.293; 90; 90; 108.45;  

COD ID: 4344034
CIF file Formula: - C49 H44 B F2 Fe N3 O4 -
Comments: Zatsikha, Yuriy V.; Maligaspe, Eranda; Purchel, Anatolii A.; Didukh, Natalia O.; Wang, Yefeng; Kovtun, Yuriy P.; Blank, David A.; Nemykin, Victor N. Tuning Electronic Structure, Redox, and Photophysical Properties in Asymmetric NIR-Absorbing Organometallic BODIPYs. Inorganic chemistry 54(16) (2015) 7915-7928
Space group: P 1 1 21/n
Cell volume: 4213.3
Cell parameters: 11.2986; 11.5422; 36.2597; 90; 90; 116.998;  

COD ID: 7035123
CIF file Formula: - C32 H43 Li N6 O Ti -
Comments: Pedrosa, Sergio; Vidal, Fernando; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Gómez-Sal, Pilar; Mosquera, Marta E. G. Imido-pyridine Ti(iv) compounds: synthesis of unusual imido-amido heterobimetallic derivatives. Dalton transactions (Cambridge, England : 2003) 44(24) (2015) 11119-11128
Space group: P 1 1 21/n
Cell volume: 3125
Cell parameters: 11.414; 15.79; 18.041; 90; 90; 106.06;  

COD ID: 7039459
CIF file Formula: - C18 H18 Au F3 N2 O3 -
Comments: Holmsen, Marte Sofie Martinsen; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Tråseth, Eline Aasen; Heyn, Richard H.; Tilset, Mats Small-molecule activation at Au(iii): metallacycle construction from ethylene, water, and acetonitrile. Dalton transactions (Cambridge, England : 2003) 45(37) (2016) 14719-14724
Space group: P 1 1 21/n
Cell volume: 1764.2
Cell parameters: 7.1906; 12.6491; 19.396; 90; 89.9973; 90;  

COD ID: 7103364
CIF file Formula: - C2 H3 Cl3 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Energetics of conformational conversion between 1,1,2-trichloroethane polymorphs. Chemical communications (Cambridge, England) (issue 37) (2008) 4439-4441
Space group: P 1 1 21/n
Cell volume: 462.4
Cell parameters: 5.0448; 8.3551; 11.006; 90; 90; 94.643;  

COD ID: 7103365
CIF file Formula: - C2 H3 Cl3 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Energetics of conformational conversion between 1,1,2-trichloroethane polymorphs. Chemical communications (Cambridge, England) (issue 37) (2008) 4439-4441
Space group: P 1 1 21/n
Cell volume: 448.9
Cell parameters: 4.9978; 8.208; 10.982; 90; 90; 94.77;  

COD ID: 7221070
CIF file Formula: - As3 Fe2 Li3 O12 -
Comments: Mesa, J.L.; Moreno, N.O.; Goni, A.; Brandl, A.L.; Barberis, G.E.; Rojo, T. Structure and magnetic properties of Li3 Fe2 (As O4)3-x (P O4)x (x=0, 1, 1.5, 2): two sublattice weak ferromagnets Journal of Materials Chemistry 10 (2000) 2779-2785
Space group: P 1 1 21/n
Cell volume: 938.772
Cell parameters: 8.608; 12.215; 8.929; 90; 90; 90.76;  

COD ID: 7222849
CIF file Formula: - As Gd Se -
Comments: Hulliger, F. On the Rare-Earth Pnigochalcogenides Ln As Se Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 36 (1981) 463-469
Space group: P 1 1 21/n
Cell volume: 271.856
Cell parameters: 3.9733; 3.925; 17.432; 90; 90; 90;  

COD ID: 7222850
CIF file Formula: - As Nd Se -
Comments: Hulliger, F. On the Rare-Earth Pnigochalcogenides Ln As Se Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 36 (1981) 463-469
Space group: P 1 1 21/n
Cell volume: 287.432
Cell parameters: 4.0358; 4.0363; 17.645; 90; 90; 90;  

COD ID: 9002425
CIF file Formula: - Al O4 Si Tl -
Comments: Kyono, A.; Kimata, M.; Shimizu, M. The crystal structure of TlAlSiO4: The role of inert pairs in exclusion of Tl from silicate minerals American Mineralogist 85 (2000) 1287-1293
Space group: P 1 1 21/n
Cell volume: 421.2
Cell parameters: 5.4095; 9.4232; 8.2629; 90; 90; 90.01;  

COD ID: 9008245
CIF file Formula: - Ca N O9 P3 -
Comments: Masse, R.; Durif, A.; Guitel, J. C. Structure cristalline du trimetaphosphate CaNH4P3O9; Trimetaphosphates: CaKP3O9, CaCsP3O9 et CaNH4P3O9*3H2O Note: x(P2) adjusted to match reported bond lengths Zeitschrift fur Kristallographie 141 (1975) 113-125
Space group: P 1 1 21/n
Cell volume: 932.484
Cell parameters: 7.446; 12.461; 10.05; 90; 90; 90.11;  

COD ID: 9009537
CIF file Formula: - B2 Ca H4 O6 -
Comments: Simonov, M. A.; Egorov-Tismenko Y K; Belov, N. V. Accurate crystal structure of uralborite, Ca2[B4O4(OH)8] Doklady Akademii Nauk SSSR 234 (1977) 822-825
Space group: P 1 1 21/n
Cell volume: 832.367
Cell parameters: 6.927; 9.836; 12.331; 90; 90; 97.81;  

COD ID: 9011773
CIF file Formula: - Al Ge Na O4 -
Comments: Sandomirskii, P. A.; Meshalkin, S. S.; Rozhdestvenskaya, I. V.; Dem'yanets, L. N.; Uvarova, T. G. Crystal structures of the D-phase of K(AlGeO4) and the C-phase of Na(AlGeO4) to match reported bond lengths Note: z coordinate of O8 changed from .05135 to .15135 to match reported bond lengths Note: y coordinate of O11 changed from .04154 to .05154 to match reported bond lengths Kristallografiya 31 (1986) 522-527
Space group: P 1 1 21/n
Cell volume: 1118.47
Cell parameters: 8.783; 15.432; 8.252; 90; 90; 90.09;  

COD ID: 9011873
CIF file Formula: - H20 N2 Ni O14 S2 -
Comments: Treushnikov, E. N.; Kuskov, V. I.; Soboleva, L. V.; Belov, N. V. Distribution of electron density in nickel ammonium sulphate hexahydrate [Ni*6H2O](NH4)2(SO4)2 from x-ray diffraction data Soviet Physics Crystallography 23 (1978) 30-41
Space group: P 1 1 21/n
Cell volume: 684.08
Cell parameters: 6.243; 9.484; 12.467; 90; 90; 112.067;  

COD ID: 9011892
CIF file Formula: - Al0.15 Fe0.15 H O11 Si2.85 Y2.85 -
Comments: Kornev, A. N.; Batalieva, N. G.; Maksimov, B. A.; Ilyukhin, V. V.; Belov, N. V. Crystal structure of the talenite Y3 [Si3O10](OH) Soviet Physics Doklady 17 (1972) 88-90
Space group: P 1 1 21/n
Cell volume: 830.785
Cell parameters: 10.343; 7.294; 11.093; 90; 90; 96.917;  

COD ID: 9013697
CIF file Formula: - Ag Fe2 S3 -
Comments: Yang, H.; Pinch, W. W.; Downs, R. T. Crystal structure of argentopyrite, AgFe2S3, and its relationship with cubanite Locality: Joachimstal, Bohemia, Czech Republic, type sample American Mineralogist 94 (2009) 1727-1730
Space group: P 1 1 21/n
Cell volume: 494.262
Cell parameters: 6.6902; 11.4497; 6.4525; 90; 90; 90.242;  


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