Information card for entry 4346637

Structure parameters

• Formula: C3 F2 K2 O9 Pb3
• Calculated formula: C3 F2 K2 O9 Pb3
• SMILES: [F-].[Pb+2].[F-].[Pb+2].[Pb+2].[K+].[K+].[O-]C(=O)[O-].O=C([O-])[O-].C(=O)([O-])[O-]
• Title of publication: K2Pb3(CO3)3F2 and KCdCO3F: Novel Fluoride Carbonates with Layered and 3D Framework Structures.
• Authors of publication: Lin, Yuan; Hu, Chun-Li; Mao, Jiang-Gao
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 10407 - 10414
• a: 5.2989 ± 0.0003 Å
• b: 5.2989 ± 0.0003 Å
• c: 23.2326 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 564.94 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0219
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No