Information card for entry 3000207

Structure parameters

• Formula: Cu K Li O7 P2
• Title of publication: Crystal structure of LiKCuP~2~O~7~, a new diphosphate family member
• Authors of publication: Fitouri, Ines; Boughzala, Habib
• Journal of publication: To be published
• a: 5.0658 ± 0.001 Å
• b: 14.18 ± 0.002 Å
• c: 8.473 ± 0.007 Å
• α: 90°
• β: 90.189 ± 0.01°
• γ: 90°
• Cell volume: 608.6 ± 0.5 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: 0.0228
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No