Information card for entry 2102082

Structure parameters

• Formula: Cu7 P Se6
• Calculated formula: Cu7 P Se6
• Title of publication: Structures and phase transitions of the <i>A</i>~7~PSe~6~ (<i>A</i>~=~Ag, Cu) argyrodite-type ionic conductors. II. β- and γ-Cu~7~PSe~6~
• Authors of publication: Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F.; Evain, M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 402 - 408
• a: 10.108 ± 0.0004 Å
• b: 10.108 ± 0.0004 Å
• c: 10.108 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1032.75 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for all reflections: 0.0317
• Weighted residual factors for all reflections included in the refinement: 0.0317
• Goodness-of-fit parameter for all reflections: 0.8
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8
• Diffraction radiation wavelength: 0.5609 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No