Information card for entry 3000208

Structure parameters

• Formula: Cu Na1.5 O7 P2 Rb0.5
• Title of publication: Crystal structure of Rb0.5Na1.5CuP~2~O~7~, a new diphosphate family member
• Authors of publication: Fitouri, Ines; Boughzala, Habib
• Journal of publication: To be published
• a: 7.817 ± 0.002 Å
• b: 9.806 ± 0.003 Å
• c: 8.644 ± 0.003 Å
• α: 90°
• β: 104.48 ± 0.02°
• γ: 90°
• Cell volume: 641.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No