Information card for entry 2102192

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. III. α-Cu~7~PSe~6~
• Authors of publication: Gaudin, E.; Petricek, V.; Boucher, F.; Taulelle, F.; Evain, M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 972 - 979
• a: 14.3179 ± 0.0004 Å
• b: 7.1112 ± 0.0002 Å
• c: 10.1023 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1028.59 ± 0.05 ų
• Number of distinct elements: 3
• 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: 0.2954
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for significantly intense reflections: 0.62
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No