Information card for entry 4330345

Structure parameters

• Formula: Bi2 Cl Cs3 Fe4 K O24 P6
• Calculated formula: Bi2 Cl Cs3 Fe4 K 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: 17.167 ± 0.003 Å
• b: 17.089 ± 0.003 Å
• c: 9.928 ± 0.002 Å
• α: 90°
• β: 116.66 ± 0.03°
• γ: 90°
• Cell volume: 2602.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No