Information card for entry 4325081

Structure parameters

• Formula: Ba2 Cu5.64 Se1.1 Te3.9
• Calculated formula: Ba2 Cu5.638 Se1.096 Te3.904
• Title of publication: New Barium Copper Chalcogenides Synthesized Using Two Different Chalcogen Atoms: Ba2Cu6-xSTe4 and Ba2Cu6-xSeyTe5-y
• Authors of publication: Oottil Mayasree; Cheriyedath Raj Sankar; Abdeljalil Assoud; Holger Kleinke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4580 - 4585
• a: 9.7048 ± 0.0006 Å
• b: 14.1853 ± 0.0009 Å
• c: 4.384 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 603.53 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No