Information card for entry 4001574

Structure parameters

• Formula: Ba3 Cu13.65 Te12
• Calculated formula: Ba3 Cu13.6475 Te12
• Title of publication: Thermoelectric Properties of the New Polytelluride Ba3Cu14-δTe12
• Authors of publication: Assoud, Abdeljalil; Thomas, Stephanie; Sutherland, Brodie; Zhang, Huqin; Tritt, Terry M.; Kleinke, Holger
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 16
• Pages of publication: 3866
• a: 11.9091 ± 0.0018 Å
• b: 21.174 ± 0.004 Å
• c: 11.9826 ± 0.0018 Å
• α: 90°
• β: 117.071 ± 0.004°
• γ: 90°
• Cell volume: 2690.5 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No