Information card for entry 4003709

Structure parameters

• Formula: Cu8 K3 S4 Te2
• Calculated formula: Cu8 K3 S4 Te2
• 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: 18.117 ± 0.018 Å
• b: 3.937 ± 0.004 Å
• c: 9.982 ± 0.01 Å
• α: 90°
• β: 102.542 ± 0.017°
• γ: 90°
• Cell volume: 695 ± 1.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No