Information card for entry 4003707

Structure parameters

• Formula: Cu4.22 K S2 Te
• Calculated formula: Cu4.223 K 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: 3.889 ± 0.003 Å
• b: 3.889 ± 0.003 Å
• c: 10.269 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 155.3 ± 0.2 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: 0.0195
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.0306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No