Information card for entry 4330344

Structure parameters

• Formula: Bi2 Cl Cs3 K Mn4 O24 P6
• Calculated formula: Bi2 Cl Cs3 K Mn4 O24 P6
• Title of publication: Synthesis and Structure of Bismuth(III)-Containing Noncentrosymmetric Phosphates, Cs3KBi2M4(PO4)6Cl (M = Mn, Fe). Monoclinic (Cc) and Tetragonal (P43) Polymorphs Templated by Chlorine-Centered Cl(Bi2Cs) Acentric Units
• Authors of publication: J. Palmer West; Dino Sulejmanovic; Shiou-Jyh Hwu; Jian He; Don VanDerveer; B. Keith Johnson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9723 - 9729
• a: 12.2098 ± 0.0017 Å
• b: 12.2098 ± 0.0017 Å
• c: 17.848 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2660.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No