Information card for entry 4110147

Structure parameters

• Formula: Cs F5 Na Nb O
• Calculated formula: Cs F5 Na Nb O
• SMILES: O=[Nb](F)(F)(F)([F-])[F-].[Na+].[Cs+]
• Title of publication: Cation-Anion Interactions and Polar Structures in the Solid State
• Authors of publication: Michael R. Marvel; Julien Lesage; Jaewook Baek; P. Shiv Halasyamani; Charlotte L. Stern; Kenneth R. Poeppelmeier
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 13963 - 13969
• a: 8.3155 ± 0.0007 Å
• b: 13.3176 ± 0.0011 Å
• c: 11.1314 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1232.72 ± 0.18 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No