Crystallography Open Database

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Searching space group like 'I 1 m 1'

COD ID: 1100575
CIF file Formula: - C30 H72 Cl4 N6 O Si3 Ti3 -
Comments: Mommertz, Andreas; Leo, Roland; Massa, Werner; Harms, Klaus; Dehnicke, Kurt Synthese eines Titana-Oxacyclohexanringes durch kontrollierte Ringöffnung von Tetrahydrofuran. Kristallstrukturen von [Ti(CH~2~)~4~O{Me~2~Si(NBut)~2~}]~2~, [TiCl{Me~2~Si(NBut)~2~}]~3~(μ~3~-O)(μ~3~-Cl) und [Li~2~(THF)~3~{Me~2~Si(NBut)~2~}] Zeitschrift fuer Anorganische und Allgemeine Chemie 624(10) (1998) 1647-1652
Space group: I 1 m 1
Cell volume: 2362.41
Cell parameters: 10.8627; 18.8232; 11.577; 90; 93.63; 90;  

COD ID: 1510869
CIF file Formula: - B29 Na2 -
Comments: Eckert, H.; Fild, C.; Gruehn, R.; Albert, B.; Hofmann, K.; Schleifer, M. "Na B15": a new structural description based on X-ray and neutron diffraction, electron microscopy, and solid-state NMR spectroscopy Chemistry - A European Journal 6 (2000) 2531-2536
Space group: I 1 m 1
Cell volume: 510.793
Cell parameters: 5.874; 10.403; 8.359; 90; 90.17; 90;  

COD ID: 1530263
CIF file Formula: - Cd H2 O2 -
Comments: Lecerf, A.; Riou, A.; Cudennec, Y.; Gerault, Y.; Chanson, C. Etude physico-chimique et structurale de l'hydroxyde de cadmium gamma Cd (O H)2 Materials Research Bulletin 23 (1988) 1479-1490
Space group: I 1 m 1
Cell volume: 199.917
Cell parameters: 5.688; 10.28; 3.42; 90; 91.4; 90;  

COD ID: 1533905
CIF file Formula: - Mo1.812 Ni1.188 P -
Comments: Orishchin, S.V.; Kuz'ma, Yu.B.; Guerin, P.; Zhak, O.V.; Deputier, S. Structure of Mo2.0-x Ni1.0+x P (x=0.2) and some crystal-chemical features of ternary phases in the Mo - Ni - P system Neorganicheskie Materialy 38 (2002) 1415-1422
Space group: I 1 m 1
Cell volume: 413.976
Cell parameters: 10.4036; 8.4055; 4.7357; 90; 91.538; 90;  

COD ID: 1537042
CIF file Formula: - Cd2 H4 O4 -
Comments: Riou, A.; Gerault, Y.; Cudennec, Y. Etude structurale de gamma-Cd (O H)2 ou Cd2 O (O H)2 (H2 O) Materials Research Bulletin 25 (1990) 987-996
Space group: I 1 m 1
Cell volume: 197.033
Cell parameters: 5.664; 10.223; 3.404; 90; 91.52; 90;  

COD ID: 1537177
CIF file Formula: - Bi17 O43 P5 Pb5 -
Comments: Roussel, P.; Giraud, S.; Wignacourt, J.P.; Suard, E.; Steinfink, H. A new fluorite type compound Pb5 Bi17 X5 O43: synchrotron and neutron structure determination (X = P) and conduction properties (X = P, V, As) Solid State Sciences 4 (2002) 1143-1152
Space group: I 1 m 1
Cell volume: 2160.46
Cell parameters: 11.388; 16.64; 11.424; 90; 93.63; 90;  

COD ID: 2009492
CIF file

Original IUCr paper

 Formula: - C12 H12 Cl4 Na2 O16 U -
Comments: Bram, Andreas; Bruederl, Georg; Burzlaff, Hans; Lange, Joachim; Rothammel, Walter; Spengler, Roland; Karayannis, M.I.; Veltsistas, P.G. Disodium bis(<i>o</i>-chloranilato)uranyl(VI) hexahydrate Acta Crystallographica Section C 50(2) (1994) 178-180
Space group: I 1 m 1
Cell volume: 1160.9
Cell parameters: 12.188; 16.518; 5.908; 90; 102.57; 90;  

COD ID: 2101205
CIF file

Original IUCr paper

 Formula: - C6 H12 Cl2 Na2 O12 U -
Comments: Spengler, R.; Zimmermann, H.; Burzlaff, H.; Jansen, J.; Peschar, R.; Schenk, H. <i>Ab initio</i> structure determination from powder data using direct methods Acta Crystallographica Section B 50(5) (1994) 578-582
Space group: I 1 m 1
Cell volume: 1167.9
Cell parameters: 12.217; 16.543; 5.9206; 90; 102.57; 90;  

COD ID: 2102491
CIF file

Original IUCr paper

 Formula: - H15 O10.5 S -
Comments: Hirsch, Tomas K.; Ojamäe, Lars An investigation of H-atom positions in sulfuric acid crystal structures Acta Crystallographica Section B 60(2) (2004) 179-183
Space group: I 1 m 1
Cell volume: 928.2
Cell parameters: 6.8182; 26.876; 5.936; 90; 121.42; 90;  

COD ID: 2102492
CIF file

Original IUCr paper

 Formula: - H15 O10.5 S -
Comments: Hirsch, Tomas K.; Ojamäe, Lars An investigation of H-atom positions in sulfuric acid crystal structures Acta Crystallographica Section B 60(2) (2004) 179-183
Space group: I 1 m 1
Cell volume: 928.2
Cell parameters: 6.8182; 26.876; 5.936; 90; 121.42; 90;  

COD ID: 2201420
CIF file

HKL data

Original IUCr paper

 Formula: - C0.73 H47.19 Cl2.27 N15 O18 Rh3 S6 -
Comments: Harris, Pernille; Kofod, Pauli A methyl-coordinated Rh^<b>III^</b> ion in methylpentaamminerhodium(III)‒chloropentaamminerhodium(III)‒dithionate (0.73/2.27/3) Acta Crystallographica Section E 58(8) (2002) m460-m462
Space group: I 1 m 1
Cell volume: 1670.4
Cell parameters: 6.271; 27.205; 9.871; 90; 97.29; 90;  

COD ID: 2310422
CIF file Formula: - Cd H2 O2 -
Comments: de Wolff, P.M. The crystal structure of gamma- Cd (O H)2 Acta Crystallographica (1,1948-23,1967) 21 (1966) 432-433
Space group: I 1 m 1
Cell volume: 198.122
Cell parameters: 5.67; 10.25; 3.41; 90; 91.4; 90;  

COD ID: 4001045
CIF file Formula: - Bi14.32 O42 P7 Zn1.99 -
Comments: Huvé, Marielle; Colmont, Marie; Lejay, Julien; Aschehoug, Patrick; Mentré, Olivier Building Units and Intergrowths: Toward the Design of an Extended Family of Acentric Bi-Based Materials with Second Harmonic Generacy Chemistry of Materials 21(17) (2009) 4019
Space group: I 1 m 1
Cell volume: 3741.9
Cell parameters: 11.579; 5.476; 59.015; 90; 90.28; 90;  

COD ID: 4115681
CIF file Formula: - C28 H34 F2 N2 O66 Si32 -
Comments: Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media Journal of the American Chemical Society 123 (2001) 8797-8805
Space group: I 1 m 1
Cell volume: 1876.1
Cell parameters: 18.51; 13.4478; 7.6928; 90; 101.552; 90;  

COD ID: 4115682
CIF file Formula: - C28 H34 F2 N2 O66 Si32 -
Comments: Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media Journal of the American Chemical Society 123 (2001) 8797-8805
Space group: I 1 m 1
Cell volume: 1889.08
Cell parameters: 18.571; 13.4943; 7.7153; 90; 102.302; 90;  

COD ID: 4116095
CIF file Formula: - C28 H34 F2 N2 O66 Si32 -
Comments: Ivor Bull; Luis A. Villaescusa; Simon J. Teat; Miguel A. Camblor; Paul A. Wright; Philip Lightfoot; Russell E. Morris Imposition of Polarity on a Centrosymmetric Zeolite Host: The Effect of Fluoride Ions on Template Ordering in Zeolite IFR Journal of the American Chemical Society 122 (2000) 7128-7129
Space group: I 1 m 1
Cell volume: 1876.1
Cell parameters: 18.51; 13.4478; 7.6928; 90; 101.552; 90;  

COD ID: 4116096
CIF file Formula: - C28 H34 F2 N2 O66 Si32 -
Comments: Ivor Bull; Luis A. Villaescusa; Simon J. Teat; Miguel A. Camblor; Paul A. Wright; Philip Lightfoot; Russell E. Morris Imposition of Polarity on a Centrosymmetric Zeolite Host: The Effect of Fluoride Ions on Template Ordering in Zeolite IFR Journal of the American Chemical Society 122 (2000) 7128-7129
Space group: I 1 m 1
Cell volume: 1889.08
Cell parameters: 18.571; 13.4943; 7.7153; 90; 102.302; 90;  

COD ID: 4134560
CIF file Formula: - C6 H10 I6 N2 Sn2 -
Comments: Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G. Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse. Journal of the American Chemical Society (2020)
Space group: I 1 m 1
Cell volume: 4127.4
Cell parameters: 16.2885; 25.4252; 9.9795; 90; 92.951; 90;  

COD ID: 4134562
CIF file Formula: - C6 H10 I6 N2 Sn2 -
Comments: Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G. Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse. Journal of the American Chemical Society (2020)
Space group: I 1 m 1
Cell volume: 4154.2
Cell parameters: 16.3185; 25.4637; 10.0068; 90; 92.49; 90;  

COD ID: 4134563
CIF file Formula: - C6 H10 I6 N2 Sn2 -
Comments: Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G. Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse. Journal of the American Chemical Society (2020)
Space group: I 1 m 1
Cell volume: 4140.1
Cell parameters: 16.2208; 25.4537; 10.0307; 90; 91.466; 90;  

COD ID: 4134564
CIF file Formula: - C6 H10 I6 N2 Pb0.91 Sn1.09 -
Comments: Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G. Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse. Journal of the American Chemical Society (2020)
Space group: I 1 m 1
Cell volume: 4177.4
Cell parameters: 16.3397; 25.552; 10.0204; 90; 93.13; 90;  

COD ID: 4134565
CIF file Formula: - C6 H10 I6 N2 Pb2 -
Comments: Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G. Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse. Journal of the American Chemical Society (2020)
Space group: I 1 m 1
Cell volume: 4208.5
Cell parameters: 16.3698; 25.6376; 10.0435; 90; 93.198; 90;  

COD ID: 6000109
CIF file Formula: - Ba2 Cd H O11 P3 -
Comments: Ben Taher, L.; Smiri, L.; Laligant, Y.; Le Bail, A. Investigation of mixed divalent cation phosphates: synthesis and X-ray powder structure determination of CdBa2(P2O7)(HPO4) Solid State Sciences 2 (2000) 285-292
Space group: I 1 m 1
Cell volume: 485.13
Cell parameters: 11.9022; 5.553; 7.3401; 90; 90.091; 90;  

COD ID: 7021584
CIF file Formula: - C36.67 H31 Cl Ir N3 O2.33 -
Comments: Gildea, Louise F.; Batsanov, Andrei S.; Williams, J. A. Gareth Bright orange/red-emitting rhodium(iii) and iridium(iii) complexes: tridentate N^C^N-cyclometallating ligands lead to high luminescence efficiencies. Dalton transactions (Cambridge, England : 2003) 42(29) (2013) 10388-10393
Space group: I 1 m 1
Cell volume: 4697.9
Cell parameters: 10.6873; 32.019; 14.1789; 90; 104.476; 90;  

COD ID: 7040156
CIF file Formula: - C51 H59 B4 Co2 F16 N15 O -
Comments: Cho, Yae In; Ward, Meredith L.; Rose, Michael J. Substituent effects of N4 Schiff base ligands on the formation of fluoride-bridged dicobalt(ii) complexes via B-F abstraction: structures and magnetism. Dalton transactions (Cambridge, England : 2003) 45(34) (2016) 13466-13476
Space group: I 1 m 1
Cell volume: 3100.8
Cell parameters: 10.7; 16.893; 17.361; 90; 98.845; 90;  

COD ID: 7100100
CIF file Formula: - Bi9 Cl5 H12 O37 -
Comments: J.H. Thurston; D.C. Swenson; L. Messerle Chemical Communications (2005)
Space group: I 1 m 1
Cell volume: 1774.2
Cell parameters: 9.983; 16.774; 10.608; 90; 92.85; 90;  

COD ID: 7232019
CIF file Formula: - C12 H14 Br11 N2 Sb -
Comments: Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P. Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks CrystEngComm 21(5) (2019) 850
Space group: I 1 m 1
Cell volume: 1365.1
Cell parameters: 8.4041; 13.3407; 12.2371; 90; 95.731; 90;  

COD ID: 7232898
CIF file Formula: - C20 H28 Ag4 N8 Na4 O18 S4 -
Comments: Brenna, Stefano; Ardizzoia, G. Attilio; Colombo, Valentina; Sironi, Angelo A silver(i) coordination polymer with sodium 3,5-dimethyl-4-sulfonate pyrazolate: a nice example of PXRD structure solution and time-driven crystallization CrystEngComm 21(31) (2019) 4586
Space group: I 1 m 1
Cell volume: 882.93
Cell parameters: 5.3219; 29.6921; 5.6591; 90; 99.122; 90;  

COD ID: 7239741
CIF file Formula: - Co0.5 Cs O4 Si1.5 -
Comments: Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure CrystEngComm 22(6) (2020) 1112-1119
Space group: I 1 m 1
Cell volume: 461.14
Cell parameters: 8.9926; 5.4599; 9.3958; 90; 91.5928; 90;  

COD ID: 7239742
CIF file Formula: - Co0.5 Cs0.86 O4 Rb0.14 Si1.5 -
Comments: Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure CrystEngComm 22(6) (2020) 1112-1119
Space group: I 1 m 1
Cell volume: 459.9
Cell parameters: 8.996; 5.45; 9.381; 90; 90.709; 90;  

COD ID: 9004960
CIF file Formula: - C H4 Ca7 O23 Si6 -
Comments: Grice, J. D. The structure of spurrite, tilleyite and scawtite, and relationships to other silicate-carbonate minerals The Canadian Mineralogist 43 (2005) 1489-1500
Space group: I 1 m 1
Cell volume: 1002.4
Cell parameters: 6.631; 15.195; 10.121; 90; 100.59; 90;  

COD ID: 9009611
CIF file Formula: - H3 Hg4 O6 Sb -
Comments: Tillmanns, E.; Krupp, R.; Abraham, K. New data on the mercury antimony mineral shakhovite: Chemical composition, unit cell and crystal structure Tschermaks Mineralogische und Petrographische Mitteilungen 30 (1982) 227-235
Space group: I 1 m 1
Cell volume: 394.788
Cell parameters: 4.871; 15.098; 5.433; 90; 98.86; 90;  


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