Information card for entry 4316029

Structure parameters

• Formula: Ba2 Cu3.24 Te5
• Calculated formula: Ba2 Cu3.246 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: 9.4428 ± 0.0006 Å
• b: 9.3289 ± 0.0006 Å
• c: 13.3028 ± 0.0008 Å
• α: 90°
• β: 101.635 ± 0.001°
• γ: 90°
• Cell volume: 1147.78 ± 0.12 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: 0.0405
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No