Information card for entry 4316031

Structure parameters

• Formula: Ba2 Cu3.33 Te5
• Calculated formula: Ba2 Cu3.332 Te5
• Title of publication: Structure Change via Partial Se/Te Substitution: Crystal Structure and Physical Properties of the Telluride Ba2Cu4-xTe5 in Contrast to the Selenide-Telluride Ba2Cu4-xSeyTe5-y
• Authors of publication: Oottil Mayasree; Yanjie Cui; Abdeljalil Assoud; Holger Kleinke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6518 - 6524
• a: 9.472 ± 0.0013 Å
• b: 9.3573 ± 0.0013 Å
• c: 13.3042 ± 0.0018 Å
• α: 90°
• β: 101.688 ± 0.003°
• γ: 90°
• Cell volume: 1154.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No