Information card for entry 4003708

Structure parameters

• Formula: Cs Cu4.17 S2 Te
• Calculated formula: Cs Cu4.173 S2 Te
• Title of publication: Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions
• Authors of publication: Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Slade, Tyler J.; Wolverton, Chris; Kanatzidis, Mercouri G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 3.9443 ± 0.0005 Å
• b: 3.9443 ± 0.0005 Å
• c: 10.689 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 166.29 ± 0.06 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.0153
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.0392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No