Information card for entry 4316032

Structure parameters

• Formula: Ba2 Cu3.26 Se0.73 Te4.27
• Calculated formula: Ba2 Cu3.258 Se0.729 Te4.271
• 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: 6.5418 ± 0.0003 Å
• b: 6.5418 ± 0.0003 Å
• c: 25.782 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1103.34 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No