Information card for entry 4003706

Structure parameters

• Formula: Cu4.23 Rb S2 Te
• Calculated formula: Cu4.232 Rb 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: 3.9063 ± 0.0002 Å
• b: 3.9063 ± 0.0002 Å
• c: 10.436 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 159.245 ± 0.018 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299.19 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: 0.0211
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No