Information card for entry 4110148

Structure parameters

• Formula: F5 K Na Nb O
• Calculated formula: F5 K Na Nb O
• SMILES: [K+].[Na+].[Nb](=O)(F)(F)(F)(F)F
• 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: 11.8653 ± 0.0011 Å
• b: 5.8826 ± 0.0006 Å
• c: 8.1258 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 567.17 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No