Information card for entry 4338510

Structure parameters

• Formula: C Cs F O3 Pb
• Calculated formula: C Cs F O3 Pb
• Title of publication: Role of Acentric Displacements on the Crystal Structure and Second-Harmonic Generating Properties of RbPbCO3F and CsPbCO3F.
• Authors of publication: Tran, T. Thao; Halasyamani, P. Shiv; Rondinelli, James M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 6241 - 6251
• a: 5.393 ± 0.003 Å
• b: 5.393 ± 0.003 Å
• c: 5.116 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 128.86 ± 0.11 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 187
• Hermann-Mauguin space group symbol: P -6 m 2
• Hall space group symbol: P -6 2
• Residual factor for all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No