Information card for entry 2242312

Structure parameters

• Chemical name: Potassium sodium copper(II) diphosphate(V)
• Formula: Cu K Na O7 P2
• Calculated formula: Cu K Na O7 P2
• Title of publication: Crystal structure of KNaCuP~2~O~7~, a new member of the diphosphate family
• Authors of publication: Fitouri, Ines; Boughzala, Habib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• Pages of publication: 109 - 112
• a: 5.176 ± 0.003 Å
• b: 13.972 ± 0.005 Å
• c: 9.067 ± 0.003 Å
• α: 90°
• β: 91.34 ± 0.02°
• γ: 90°
• Cell volume: 655.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes