Crystallography Open Database

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Searching space group like 'R 3 :R'

COD ID: 1010678
CIF file Formula: - H12 Mg O9 S -
Comments: Klasens, H A; Perdok, W G; Terpstra, P Crystallography of magnesium-sulphite, cobalt-sulphite and nickel- sulphite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 1-6
Space group: R 3 :R
Cell volume: 672.6
Cell parameters: 8.82; 8.82; 8.82; 96.33; 96.33; 96.33;  

COD ID: 1010679
CIF file Formula: - Co H12 O9 S -
Comments: Klasens, H A; Perdok, W G; Terpstra, P Crystallography of magnesium-sulphite, cobalt-sulphite and nickel- sulphite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 1-6
Space group: R 3 :R
Cell volume: 672.8
Cell parameters: 8.822; 8.822; 8.822; 96.37; 96.37; 96.37;  

COD ID: 1010680
CIF file Formula: - H12 Ni O9 S -
Comments: Klasens, H A; Perdok, W G; Terpstra, P Crystallography of magnesium-sulphite, cobalt-sulphite and nickel- sulphite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 1-6
Space group: R 3 :R
Cell volume: 662
Cell parameters: 8.773; 8.773; 8.773; 96.3; 96.3; 96.3;  

COD ID: 1100080
CIF file Formula: - H12 Mg O9 S -
Comments: Anderson, L.; Lindquist, O. Neutron Diffraction Refinement of Magnesium Sulfite Hexahydrate, MgSO~3~.(H~2~O)~6~ Acta Crystallographica, Section C: Crystal Structure Communications 40(4) (1984) 584-586
Space group: R 3 :R
Cell volume: 204.8
Cell parameters: 5.933; 5.933; 5.933; 96.28; 96.28; 96.28;  

COD ID: 1100081
CIF file Formula: - H12 Mg O9 S -
Comments: Bats, J W; Fuess, H; Elerman, Y Deformation density in magnesium sulfite hexahydrate. Acta Crystallographica B (39,1983-) 42 (1986) 552-557
Space group: R 3 :R
Cell volume: 202.6
Cell parameters: 5.911; 5.911; 5.911; 96.25; 96.25; 96.25;  

COD ID: 1100082
CIF file Formula: - H12 Mg O9 S -
Comments: Bats, J. W.; Fuess, H.; Elerman, Y. Deformation density in magnesium sulfite hexahydrate Acta Crystallographica B (39,1983-) 42(6) (1986) 552-557
Space group: R 3 :R
Cell volume: 202.6
Cell parameters: 5.911; 5.911; 5.911; 96.25; 96.25; 96.25;  

COD ID: 1100083
CIF file Formula: - H12 Mg O9 S -
Comments: Bats, J. W.; Fuess, H.; Elerman, Y. Deformation density in magnesium sulfite hexahydrate Acta Crystallographica B (39,1983-) 42(6) (1986) 552-557
Space group: R 3 :R
Cell volume: 202.6
Cell parameters: 5.911; 5.911; 5.911; 96.25; 96.25; 96.25;  

COD ID: 1510007
CIF file Formula: - Ag3 I S -
Comments: Hayes, W.; Keen, D.A.; Hull, S.; Gardner, N.J.G. The crystal structures of superionic Ag3 S I Journal of Physics: Condensed Matter 13 (2001) 2295-2316
Space group: R 3 :R
Cell volume: 115.308
Cell parameters: 4.86728; 4.86728; 4.86728; 90; 90; 90;  

COD ID: 1530805
CIF file Formula: - B12 H26 O7 Sr -
Comments: Solntsev, K.A.; Kuznetsov, N.T.; Rannev, N.V.; Zavodnik, V.E. Crystal structure and physicochemical properties of Sr B12 H12 (H2 O)7 Doklady Akademii Nauk SSSR 232 (1977) 1366-1369
Space group: R 3 :R
Cell volume: 429.849
Cell parameters: 7.594; 7.594; 7.594; 83.4; 83.4; 83.4;  

COD ID: 1532726
CIF file Formula: - F3 Mo Na3 O3 -
Comments: Brink, F.J.; Noren, L.; Goossens, D.J.; Liu Yun; Withers, R.L.; Xu Chao-Nan A combined diffraction (XRD, electron and neutron) and electrical study of Na3 Mo O3 F3 Journal of Solid State Chemistry 174 (2003) 450-458
Space group: R 3 :R
Cell volume: 133.141
Cell parameters: 5.8378; 5.8378; 5.8378; 57.668; 57.668; 57.668;  

COD ID: 1533111
CIF file Formula: - F9 Nb Se -
Comments: Edwards, A.J.; Jones, G.R. Fluoride crystal structures. Part XI. Trifluoroselenium(IV) hexafluoroniobate(V) and hexafluorotantalate(V) Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1970 (1970) 1891-1894
Space group: R 3 :R
Cell volume: 723.683
Cell parameters: 8.99; 8.99; 8.99; 92.9; 92.9; 92.9;  

COD ID: 1538351
CIF file Formula: - O28.5 P8 Pb Ta3 -
Comments: Murashova, E.V.; Chudinova, N.N.; Ilyukhin, A.B. Tantalum and metal(II) condensed phosphates Zhurnal Neorganicheskoi Khimii 48 (2003) 1413-1419
Space group: R 3 :R
Cell volume: 559.354
Cell parameters: 8.2395; 8.2395; 8.2395; 89.718; 89.718; 89.718;  

COD ID: 2001893
CIF file

Original IUCr paper

 Formula: - C9 H16 N2 O2 -
Comments: Mackay, M. F.; Banwell, M. G.; Richards, S. L. Structure of (3aα,4α,7α,7aα)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxolane-4,7-diamine Acta Crystallographica Section C 49(3) (1993) 556-558
Space group: R 3 :R
Cell volume: 720
Cell parameters: 12.594; 12.594; 12.594; 118.03; 118.03; 118.03;  

COD ID: 2106829
CIF file Formula: - H12 Ni O9 S -
Comments: Baggio, S.; Becka, L.N. A reinvestigation of the structure of nickel sulphite hexahydrate, Ni S O3 (H2 O)6 Acta Crystallographica B (24,1968-38,1982) 25 (1969) 1150-1155
Space group: R 3 :R
Cell volume: 202.253
Cell parameters: 5.898; 5.898; 5.898; 95.4; 95.4; 95.4;  

COD ID: 2107121
CIF file Formula: - Ag3 I S -
Comments: Perenthaler, E.; Beyeler, H.U.; Schulz, H. Structures and phase transition of beta- and gamma-Ag3 I S Acta Crystallographica B (24,1968-38,1982) 37 (1981) 1017-1023
Space group: R 3 :R
Cell volume: 116.357
Cell parameters: 4.882; 4.882; 4.882; 90; 90; 90;  

COD ID: 2300586
CIF file Formula: - O6 Pb2 Sc Ta -
Comments: Woodward, P.M.; Baba-Kishi, K.Z. Crystal structures of the relaxor oxide Pb2 (Sc Ta) O6 in the paraelectric and ferroelectric states Journal of Applied Crystallography 35 (2002) 233-242
Space group: R 3 :R
Cell volume: 541.798
Cell parameters: 8.15231; 8.15231; 8.15231; 89.8488; 89.8488; 89.8488;  

COD ID: 4000781
CIF file Formula: - Bi0.95 Mn7 O12 -
Comments: Mezzadri, Francesco; Buzzi, Michele; Pernechele, Chiara; Calestani, Gianluca; Solzi, Massimo; Migliori, Andrea; Gilioli, Edmondo Polymorphism and Multiferroicity in Bi1‒x/3(MnIII3)(MnIII4‒xMnIVx)O12 Chemistry of Materials 23(16) (2011) 3628
Space group: R 3 :R
Cell volume: 208.44
Cell parameters: 6.4774; 6.4774; 6.4774; 109.57; 109.57; 109.57;  

COD ID: 4071946
CIF file Formula: - C80 H116 Mg2 O8 S2 -
Comments: Wu, Jincai; Chen, Yi-Zhen; Hung, Wen-Chou; Lin, Chu-Chieh Preparation, Characterization, and Catalytic Studies of Magnesium Phenoxides: Highly Active Initiators for Ring-Opening Polymerization ofl-Lactide Organometallics 27(19) (2008) 4970
Space group: R 3 :R
Cell volume: 7010.1
Cell parameters: 19.5642; 19.5642; 19.5642; 101.023; 101.023; 101.023;  

COD ID: 4115646
CIF file Formula: - C30 H41 K O6 Si -
Comments: Michael J. Bearpark; G. Sean McGrady; Paul D. Prince; Jonathan W. Steed The First Structurally Characterized Hypervalent Silicon Hydride: Unexpected Molecular Geometry and Si-H...K Interactions Journal of the American Chemical Society 123 (2001) 7736-7737
Space group: R 3 :R
Cell volume: 815.2
Cell parameters: 9.4424; 9.4424; 9.4424; 97.93; 97.93; 97.93;  

COD ID: 4131510
CIF file Formula: - C0.3 H0.7 I0.13 N0.09 Rb0.04 -
Comments: Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane). Journal of the American Chemical Society 139(31) (2017) 10897-10902
Space group: R 3 :R
Cell volume: 380.1
Cell parameters: 7.272; 7.272; 7.272; 84.81; 84.81; 84.81;  

COD ID: 4325496
CIF file Formula: - C54 H39 Fe O3 -
Comments: Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles Inorganic Chemistry 50 (2011) 6174-6182
Space group: R 3 :R
Cell volume: 1158.57
Cell parameters: 10.5954; 10.5954; 10.5954; 97.214; 97.214; 97.214;  

COD ID: 4330504
CIF file Formula: - C1076 H1176 Co48 N96 O9 P48 -
Comments: Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure Inorganic Chemistry 51 (2012) 10290-10299
Space group: R 3 :R
Cell volume: 23188
Cell parameters: 28.5159; 28.5159; 28.5159; 90; 90; 90;  

COD ID: 4343783
CIF file Formula: - Co Ge1.5 S1.5 -
Comments: Korenstein, R.; Collin, G.; Soled, S.; Wold, A. Preparation and characterization of the skutterudite-related phases Co Ge1.5 S1.5 and Co Ge1.5 Se1.5 Inorganic Chemistry 16 (1977) 2344-2345
Space group: R 3 :R
Cell volume: 515.271
Cell parameters: 8.017; 8.017; 8.017; 90; 90; 90;  

COD ID: 4343784
CIF file Formula: - Co Ge1.5 Se1.5 -
Comments: Korenstein, R.; Soled, S.; Wold, A.; Collin, G. Preparation and characterization of the skutterudite-related phases Co Ge1.5 S1.5 and Co Ge1.5 Se1.5 Inorganic Chemistry 16 (1977) 2344-2345
Space group: R 3 :R
Cell volume: 571.58
Cell parameters: 8.299; 8.299; 8.299; 90; 90; 90;  

COD ID: 4348440
CIF file Formula: - C18.67 H33 Br N4.33 P -
Comments: Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D. Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives. Inorganic chemistry 55(14) (2016) 7152-7166
Space group: R 3 :R
Cell volume: 1709.8
Cell parameters: 12.1188; 12.1188; 12.1188; 98.79; 98.79; 98.79;  

COD ID: 4508995
CIF file Formula: - C21 H21 Br4 N3 O6 Zn2 -
Comments: Hang, Tian; Fu, Da-Wei; Ye, Qiong; Xiong, Ren-Gen Two Novel Noncentrosymmetric Zinc Coordination Compounds with Second Harmonic Generation Response, and Potential Piezoelectric and Ferroelectric Properties Crystal Growth & Design 9(5) (2009) 2026
Space group: R 3 :R
Cell volume: 1572.2
Cell parameters: 12.766; 12.766; 12.766; 63.097; 63.097; 63.097;  

COD ID: 7100827
CIF file Formula: - C64 H61.2 O22.6 -
Comments: Adina N. Lazar; Nathalie Dupont; Alda Navaza; Antony W. Coleman Helical Aquatubes of calix[4]arene dicarboxylic acid Chemical Communications (2006)
Space group: R 3 :R
Cell volume: 4265
Cell parameters: 20.937; 20.937; 20.937; 116.65; 116.65; 116.65;  

COD ID: 7111343
CIF file Formula: - C67 H75 N17 O3 -
Comments: Haberhauer, Gebhard; Oeser, Thomas; Rominger, Frank A C3-symmetric molecular scaffold for the construction of large receptors Chemical Communications (issue 18) (2004) 2044-2045
Space group: R 3 :R
Cell volume: 3401.81
Cell parameters: 22.2326; 22.2326; 22.2326; 36.035; 36.035; 36.035;  

COD ID: 7114867
CIF file Formula: - C11 H3 F8 N -
Comments: Katagiri, Toshimasa; Yamaji, Sachiko; Handa, Michiharu; Irie, Minoru; Uneyama, Kenji Diastereoselectivity controlled by electrostatic repulsion between the negative charge on a trifluoromethyl group and that on aromatic ringsElectronic supplementary information (ESI) available: general experimental methods and typical reaction procedure. See http://www.rsc.org/suppdata/cc/b1/b105602f/ Chemical Communications (issue 20) (2001) 2054
Space group: R 3 :R
Cell volume: 835.6
Cell parameters: 10.6401; 10.6401; 10.6401; 111.853; 111.853; 111.853;  

COD ID: 7228405
CIF file Formula: - C8 H18 Co2 N2 O13 -
Comments: Trzebiatowska, Monika; Zarychta, Bartosz; Pikul, Adam; maczka, miroslaw; Peksa, Paula; Poprawski, Ryszard Polar metal-formate frameworks templated with 1,2-diaminoethane-water assemblies showing ferromagnetic and ferroelectric properties Phys. Chem. Chem. Phys. (2017)
Space group: R 3 :R
Cell volume: 1263.43
Cell parameters: 10.9975; 10.9975; 10.9975; 78.85; 78.85; 78.85;  

COD ID: 8100620
CIF file Formula: - C20 H26.67 Cl2 N4 O1.33 Pt -
Comments: Abu-Surrah, Adnan S.; Klinga, Martti; Leskelä, Markku Crystal structure of (benzonitrile)chloro(N-phenylamidine-N-cyclohexylamine) platinum(II) chloride hydrate, [PtCl(C~7~H~5~N)(C~13~H~19~N~3~)]Cl · 1.33H~2~O Zeitschrift für Kristallographie - New Crystal Structures 217(2) (2002) 257-258
Space group: R 3 :R
Cell volume: 1955.6
Cell parameters: 14.671; 14.671; 14.671; 54.67; 54.67; 54.67;  

COD ID: 8103831
CIF file Formula: - Br3 H10 Na O5 Zn -
Comments: Brehler, B.; Rott, V. Die Kristallstrukturen von Na Zn Br3 (H2 O)5 und Na Zn Br3 H2 O. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 132 (1970) 422-422
Space group: R 3 :R
Cell volume: 272.501
Cell parameters: 7.281; 7.281; 7.281; 59.93; 59.93; 59.93;  


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