Information card for entry 4000972

Structure parameters

• Formula: Ba3 Cu15.05 Se7.73 Te3.27
• Calculated formula: Ba3 Cu15.025 Se7.749 Te3.251
• Title of publication: Crystal Structure and Physical Properties of the New Selenide−Tellurides Ba3Cu17−x(Se,Te)11
• Authors of publication: Kuropatwa, Bryan; Cui, Yanjie; Assoud, Abdeljalil; Kleinke, Holger
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 1
• Pages of publication: 88
• a: 12.2339 ± 0.0003 Å
• b: 12.2339 ± 0.0003 Å
• c: 28.2819 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3665.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No