Information card for entry 4134372

Structure parameters

• Formula: Cs Cu5 Se3
• Calculated formula: Cs Cu5 Se3
• Title of publication: α-CsCu₅Se₃: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.
• Authors of publication: Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 11
• Pages of publication: 5293 - 5303
• a: 13.2381 ± 0.0011 Å
• b: 13.2381 ± 0.0011 Å
• c: 4.0646 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 712.31 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No