Crystallography Open Database
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Searching space group like 'I m -3'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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4000780 | CIF | Bi0.94 Mn7 O12 | I m -3 | 7.458; 7.458; 7.458 90; 90; 90 | 414.8 | 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, 2011, 23, 3628 |
4000928 | CIF | I0.9 Rh4 Sb12 | I m -3 | 9.29997; 9.29997; 9.29997 90; 90; 90 | 804.349 | Fukuoka, Hiroshi; Yamanaka, Shoji High-Pressure Synthesis, Structure, and Electrical Property of Iodine-Filled Skutterudite I0.9Rh4Sb12—First Anion-Filled Skutterudite Chemistry of Materials, 2010, 22, 47 |
4001481 | CIF | Co In0.05 Sb3 | I m -3 | 9.05294; 9.05294; 9.05294 90; 90; 90 | 741.94 | He, Tao; Chen, Jiazhong; Rosenfeld, H. David; Subramanian, M. A. Thermoelectric Properties of Indium-Filled Skutterudites Chemistry of Materials, 2006, 18, 759 |
4001958 | CIF | B4 Ca53 H23 In13 | I m -3 | 16.3608; 16.3608; 16.3608 90; 90; 90 | 4379.4 | Blankenship, Trevor V.; Chen, Banghao; Latturner, Susan E. Ca54In13B4‒xH23+x: A Complex Metal Subhydride Featuring Ionic and Metallic Regions Chemistry of Materials, 2014, 26, 3202 |
4001959 | CIF | B4 Ca53 H23 In13 | I m -3 | 16.3608; 16.3608; 16.3608 90; 90; 90 | 4379.4 | Blankenship, Trevor V.; Chen, Banghao; Latturner, Susan E. Ca54In13B4–xH23+x: A Complex Metal Subhydride Featuring Ionic and Metallic Regions Chemistry of Materials, 2014, 26, 3202 |
4002252 | CIF | C60 Ba2.9 K3.07 | I m -3 | 11.21661; 11.21661; 11.21661 90; 90; 90 | 1411.19 | Margadonna, S.; Aslanis, E.; Li, W.Z.; Prassides, K.; Fitch, A.N.; Hansen, T.C. Crystal structure of superconducting K3 Ba3 C60 : a combined synchrotron X-ray and neutron diffraction study Chemistry of Materials (1,1989-), 2000, 12, 2736-2740 |
4002543 | CIF | C60 D18 N6 Na2 | I m -3 | 12.151; 12.151; 12.151 90; 90; 90 | 1794.06 | Claridge, J.B.; Fowkes, A.J.; Rosseinsky, M.J.; Watts, I.D. Cation-site and anion charge ordering in body-centered cubic-packed fullerides with complex counterions Chemistry of Materials (1,1989-), 2003, 15, 1497-1504 |
4002559 | CIF | Ca Cu2.42 Mn4.58 O12 | I m -3 | 7.21901; 7.21901; 7.21901 90; 90; 90 | 376.212 | Sanchez-Benitez, JJ.; Alonso, J.A.; Fernandez-Diaz, M.T.; Casais, M.T.; Martinez, J.L.; Martinez-Lope, M.J.; de Andres, A. Preparation, crystal and magnetic structure and magnetotransport properties of the double perovskite Ca Cu2.5 Mn4.5 O12 Chemistry of Materials (1,1989-), 2003, 15, 2193-2200 |
4030270 | CIF | Ba F12 Fe4 Na2 | I m -3 | 8.075; 8.075; 8.075 90; 90; 90 | 526.5 | Darriet, J.; Mayorga, S. G.; Tressaud, A. Crystal structure of Na2BaFe4F12 : a new ordered perovskite-like fluoride European Journal of Solid State and Inorganic Chemistry, 1990, 27, 783-790 |
4030419 | CIF | Ba0.84 F12 Fe3.16 Na4 | I m -3 | 8.075; 8.075; 8.075 90; 90; 90 | 526.5 | Darriet, J.; Ducau, M.; Tressaud, A. On the crystal structure of the new perovskite Na4BaxFe4-xF12 (x=0.84(1)) European Journal of Solid State and Inorganic Chemistry, 1992, 29, 395-398 |
4100601 | CIF | C6 H12 Cu N3 O | I m -3 | 14.9159; 14.9159; 14.9159 90; 90; 90 | 3318.6 | Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties Journal of the American Chemical Society, 2005 |
4101359 | CIF | Mg0.18 Sc3 Zn17.73 | I m -3 | 13.8629; 13.8629; 13.8629 90; 90; 90 | 2664.2 | Lin, Qisheng; Corbett, John D The 1/1 and 2/1 approximants in the Sc-Mg-Zn quasicrystal system: triacontahedral clusters as fundamental building blocks. Journal of the American Chemical Society, 2006, 128, 13268-13273 |
4102040 | CIF | C144 H175 Co4 N36 O165 P3 W36 | I m -3 | 23.1603; 23.1603; 23.1603 90; 90; 90 | 12423.2 | Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks Journal of the American Chemical Society, 2010, 132, 3321-3330 |
4102041 | CIF | C144 H189 Co4 Mo36 N36 O172 P3 | I m -3 | 23.2292; 23.2292; 23.2292 90; 90; 90 | 12534.4 | Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks Journal of the American Chemical Society, 2010, 132, 3321-3330 |
4102042 | CIF | C144 H175 Co4 Mo36 N36 O165 P3 | I m -3 | 23.1496; 23.1496; 23.1496 90; 90; 90 | 12406 | Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks Journal of the American Chemical Society, 2010, 132, 3321-3330 |
4102043 | CIF | C144 H186 Co4 K Mo36 N36 O171 P3 | I m -3 | 23.1704; 23.1704; 23.1704 90; 90; 90 | 12439.4 | Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks Journal of the American Chemical Society, 2010, 132, 3321-3330 |
4103729 | CIF | C46 H56 In4 K3 N26 O27.5 | I m -3 | 29.319; 29.319; 29.319 90; 90; 90 | 25203 | Shuang Wang; Tingting Zhao; Guanghua Li; Lukasz Wojtas; Qisheng Huo; Mohamed Eddaoudi; Yunling Liu From Metal-Organic Squares to Porous Zeolite-like Supramolecular Assemblies Journal of the American Chemical Society, 2010, 132, 18038-18041 |
4109448 | CIF | Au12.2 Ca3 In6.3 | I m -3 | 15.152; 15.152; 15.152 90; 90; 90 | 3478.6 | Qisheng Lin; John D. Corbett Development of the Ca-Au-In Icosahedral Quasicrystal and Two Crystalline Approximants: Practice via Pseudogap Electronic Tuning Journal of the American Chemical Society, 2007, 129, 6789-6797 |
4109943 | CIF | C450 H336 O78 P20 Pd157.2 Pt7.8 | I m -3 | 32.8615; 32.8615; 32.8615 90; 90; 90 | 35486.4 | Evgueni G. Mednikov; Matthew C. Jewell; Lawrence F. Dahl Nanosized (μ12-Pt)Pd164-xPtx(CO)72(PPh3)20 (x ~ 7) Containing Pt-Centered Four-Shell 165-Atom Pd-Pt Core with Unprecedented Intershell Bridging Carbonyl Ligands: Comparative Analysis of Icosahedral Shell-Growth Patterns with Geometrically Related Pd145(CO)x(PEt3)30 (x ~ 60) Containing Capped Three-Shell Pd145 Core Journal of the American Chemical Society, 2007, 129, 11619-11630 |
4111936 | CIF | Cu10.5 Ga7.39 Mg0.17 Sc3 | I m -3 | 13.5027; 13.5027; 13.5027 90; 90; 90 | 2461.85 | Qisheng Lin; John D. Corbett Electronic Tuning of Mg2Cu6Ga5. A Route to Crystalline Approximant and Quasicrystalline Phases Journal of the American Chemical Society, 2005, 127, 12786-12787 |
4111937 | CIF | Cu10.5 Ga7.25 Mg0.17 Sc3 | I m -3 | 13.5005; 13.5005; 13.5005 90; 90; 90 | 2460.65 | Qisheng Lin; John D. Corbett Electronic Tuning of Mg2Cu6Ga5. A Route to Crystalline Approximant and Quasicrystalline Phases Journal of the American Chemical Society, 2005, 127, 12786-12787 |
4119596 | CIF | Cu3 Fe4 O12 Y | I m -3 | 7.3077; 7.3077; 7.3077 90; 90; 90 | 390.249 | Hidenobu Etani; Ikuya Yamada; Kenya Ohgushi; Naoaki Hayashi; Yoshihiro Kusano; Masaichiro Mizumaki; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano Suppression of Intersite Charge Transfer in Charge-Disproportionated Perovskite YCu3Fe4O12 Journal of the American Chemical Society, 2013, 135, 6100-6106 |
4119597 | CIF | Cu3 Fe4 O12 Y | I m -3 | 7.3227; 7.3227; 7.3227 90; 90; 90 | 392.657 | Hidenobu Etani; Ikuya Yamada; Kenya Ohgushi; Naoaki Hayashi; Yoshihiro Kusano; Masaichiro Mizumaki; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano Suppression of Intersite Charge Transfer in Charge-Disproportionated Perovskite YCu3Fe4O12 Journal of the American Chemical Society, 2013, 135, 6100-6106 |
4124509 | CIF | C60 Eu6 | I m -3 | 10.9292; 10.9292; 10.9292 90; 90; 90 | 1305.46 | Margiolaki, I.; Margadonna, S.; Prassides, K.; Suematsu, H.; Hansen, T.; Ishii, K. Magnetic structure of the europium fulleride ferromagnet Eu6 C60 Journal of the American Chemical Society, 2002, 124, 11288-11289 |
4129504 | CIF | C119.68001 O290.64267 S14.96 Zr20.84 | I m -3 | 41.49; 41.49; 41.49 90; 90; 90 | 71422 | Taylor, Jared M.; Komatsu, Tokutaro; Dekura, Shun; Otsubo, Kazuya; Takata, Masaki; Kitagawa, Hiroshi The Role of a Three Dimensionally Ordered Defect Sublattice on the Acidity of a Sulfonated Metal-Organic Framework. Journal of the American Chemical Society, 2015, 137, 11498-11506 |
4305608 | CIF | C162 H168 Co9 N60 O60 | I m -3 | 21.3615; 21.3615; 21.3615 90; 90; 90 | 9747.5 | Man-Li Cao; Hong-Guo Hao; Wei-Xiong Zhang; Bao-Hui Ye Assembly of a Cubic Nanocage Co8L12 and a Hydrogen-Bonded 3D NbO Net Based on the [(HCO3)2]2- Synthon and Water Inorganic Chemistry, 2008, 47, 8126-8133 |
4305715 | CIF | Au9.3 Ca3 Ga9.7 | I m -3 | 14.6941; 14.6941; 14.6941 90; 90; 90 | 3172.7 | Qisheng Lin; John D. Corbett Approximant Phases and an Icosahedral Quasicrystal in the Ca-Au-Ga System: The Influence of Size of Gallium versus Indium Inorganic Chemistry, 2008, 47, 7651-7659 |
4305716 | CIF | Au11.07 Ca3 Ga7.93 | I m -3 | 14.7306; 14.7306; 14.7306 90; 90; 90 | 3196.4 | Qisheng Lin; John D. Corbett Approximant Phases and an Icosahedral Quasicrystal in the Ca-Au-Ga System: The Influence of Size of Gallium versus Indium Inorganic Chemistry, 2008, 47, 7651-7659 |
4305717 | CIF | Au12.07 Ca3 Ga6.93 | I m -3 | 14.7594; 14.7594; 14.7594 90; 90; 90 | 3215.2 | Qisheng Lin; John D. Corbett Approximant Phases and an Icosahedral Quasicrystal in the Ca-Au-Ga System: The Influence of Size of Gallium versus Indium Inorganic Chemistry, 2008, 47, 7651-7659 |
4307186 | CIF | C3.75 H3.5 Fe O7.75 | I m -3 | 11.7697; 11.7697; 11.7697 90; 90; 90 | 1630.4 | Yun-Qi Tian; Yu-Ming Zhao; Hai-Jun Xu; Cheng-Yu Chi CO2 Template Synthesis of Metal Formates with a ReO3 Net Inorganic Chemistry, 2007, 46, 1612-1616 |
4307187 | CIF | C3.75 H3.5 Al O7.75 | I m -3 | 11.4477; 11.4477; 11.4477 90; 90; 90 | 1500.22 | Yun-Qi Tian; Yu-Ming Zhao; Hai-Jun Xu; Cheng-Yu Chi CO2 Template Synthesis of Metal Formates with a ReO3 Net Inorganic Chemistry, 2007, 46, 1612-1616 |
4307188 | CIF | C3.75 H3.5 Ga O7.75 | I m -3 | 11.54; 11.54; 11.54 90; 90; 90 | 1536.8 | Yun-Qi Tian; Yu-Ming Zhao; Hai-Jun Xu; Cheng-Yu Chi CO2 Template Synthesis of Metal Formates with a ReO3 Net Inorganic Chemistry, 2007, 46, 1612-1616 |
4307189 | CIF | C3.75 H3.5 In O7.75 | I m -3 | 12.161; 12.161; 12.161 90; 90; 90 | 1798.5 | Yun-Qi Tian; Yu-Ming Zhao; Hai-Jun Xu; Cheng-Yu Chi CO2 Template Synthesis of Metal Formates with a ReO3 Net Inorganic Chemistry, 2007, 46, 1612-1616 |
4315490 | CIF | Au12.5 Ca3.25 Ge5.5 | I m -3 | 14.6704; 14.6704; 14.6704 90; 90; 90 | 3157.4 | Qisheng Lin; John D. Corbett M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives Inorganic Chemistry, 2010, 49, 4570-4577 |
4315491 | CIF | Au12.94 Ca3.25 Ge5.06 | I m -3 | 14.712; 14.712; 14.712 90; 90; 90 | 3184.3 | Qisheng Lin; John D. Corbett M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives Inorganic Chemistry, 2010, 49, 4570-4577 |
4315492 | CIF | Au13.69 Ca3.05 Ge5.31 | I m -3 | 14.764; 14.764; 14.764 90; 90; 90 | 3218.2 | Qisheng Lin; John D. Corbett M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives Inorganic Chemistry, 2010, 49, 4570-4577 |
4315493 | CIF | Au14.26 Ca3 Ge4.74 | I m -3 | 14.8046; 14.8046; 14.8046 90; 90; 90 | 3244.8 | Qisheng Lin; John D. Corbett M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives Inorganic Chemistry, 2010, 49, 4570-4577 |
4315494 | CIF | Au14.52 Ca3 Ge4.48 | I m -3 | 14.8315; 14.8315; 14.8315 90; 90; 90 | 3262.5 | Qisheng Lin; John D. Corbett M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives Inorganic Chemistry, 2010, 49, 4570-4577 |
4315495 | CIF | Au12.73 Ca3.25 Ge5.27 | I m -3 | 14.6843; 14.6843; 14.6843 90; 90; 90 | 3166.4 | Qisheng Lin; John D. Corbett M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives Inorganic Chemistry, 2010, 49, 4570-4577 |
4315496 | CIF | Au14.39 Ca3 Ge4.61 | I m -3 | 14.8223; 14.8223; 14.8223 90; 90; 90 | 3256.5 | Qisheng Lin; John D. Corbett M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives Inorganic Chemistry, 2010, 49, 4570-4577 |
4315497 | CIF | Au12.5 Ge5.39 Yb3.25 | I m -3 | 14.6334; 14.6334; 14.6334 90; 90; 90 | 3133.5 | Qisheng Lin; John D. Corbett M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives Inorganic Chemistry, 2010, 49, 4570-4577 |
4315498 | CIF | Au13.37 Ge5.24 Yb3 | I m -3 | 14.769; 14.769; 14.769 90; 90; 90 | 3221.5 | Qisheng Lin; John D. Corbett M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives Inorganic Chemistry, 2010, 49, 4570-4577 |
4316109 | CIF | Ca Cu3 O12 Pt4 | I m -3 | 7.4895; 7.4895; 7.4895 90; 90; 90 | 420.106 | Ikuya Yamada; Yuka Takahashi; Kenya Ohgushi; Norimasa Nishiyama; Ryoji Takahashi; Kohei Wada; Takehiro Kunimoto; Hiroaki Ohfuji; Yohei Kojima; Toru Inoue; Tetsuo Irifune CaCu3Pt4O12: The First Perovskite with the B Site Fully Occupied by Pt4+ Inorganic Chemistry, 2010, 49, 6778-6780 |
4316350 | CIF | Cs36 H864 Li222 O786 U60 | I m -3 | 35.0945; 35.0945; 35.0945 90; 90; 90 | 43223 | May Nyman; Mark A. Rodriguez; Charles F. Campana Self-Assembly of Alkali-Uranyl-Peroxide Clusters Inorganic Chemistry, 2010, 49, 7748-7755 |
4317014 | CIF | Au115.29 Ca24 Sn34.81 | I m -3 | 15.131; 15.131; 15.131 90; 90; 90 | 3464.2 | Qisheng Lin; John D. Corbett Development of an Icosahedral Quasicrystal and Two Approximants in the Ca-Au-Sn System: Syntheses and Structural Analyses Inorganic Chemistry, 2010, 49, 10436-10444 |
4317236 | CIF | H4 In3 K11.08 O2 Te10.04 | I m -3 | 22.96; 22.96; 22.96 90; 90; 90 | 12103.6 | Johanna Heine; Stefanie Dehnen Aqueous Telluridoindate Chemistry: Water-Soluble Salts of Monomeric, Dimeric, and Trimeric In/Te Anions [InTe4]5-, [In2Te6]6-, and [In3Te10]11- Inorganic Chemistry, 2010, 49, 11216-11222 |
4319176 | CIF | Al51.29 Li52 Zn56.71 | I m -3 | 13.9324; 13.9324; 13.9324 90; 90; 90 | 2704.4 | Chi-Shen Lee; Gordon J. Miller Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System Inorganic Chemistry, 2001, 40, 338-345 |
4319177 | CIF | Al23 Li20 Mg32 Zn85 | I m -3 | 14.1109; 14.1109; 14.1109 90; 90; 90 | 2809.7 | Chi-Shen Lee; Gordon J. Miller Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System Inorganic Chemistry, 2001, 40, 338-345 |
4319178 | CIF | Al68.78 Li32.16 Mg19.84 Zn39.22 | I m -3 | 14.0929; 14.0929; 14.0929 90; 90; 90 | 2799 | Chi-Shen Lee; Gordon J. Miller Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System Inorganic Chemistry, 2001, 40, 338-345 |
4319179 | CIF | Al69 Li34 Mg18 Zn39 | I m -3 | 14.1008; 14.1008; 14.1008 90; 90; 90 | 2803.7 | Chi-Shen Lee; Gordon J. Miller Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System Inorganic Chemistry, 2001, 40, 338-345 |
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