Information card for entry 4333990

Structure parameters

• Formula: C2 F K O6 Pb2
• Calculated formula: C2 F K O6 Pb2
• SMILES: C(=O)([O-])[O-].[F-].[Pb+2].[Pb+2].[K+].[O-]C(=O)[O-]
• Title of publication: New Fluoride Carbonates: Centrosymmetric KPb2(CO3)2F and Noncentrosymmetric K2.70Pb5.15(CO3)5F3
• Authors of publication: T. Thao Tran; P. Shiv Halasyamani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2466 - 2473
• a: 5.3 ± 0.0002 Å
• b: 5.3 ± 0.0002 Å
• c: 13.9302 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 338.88 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No