Information card for entry 4316268

Structure parameters

• Formula: Ba Cu7.31 Sb5
• Calculated formula: Ba Cu7.311 Sb5
• Title of publication: Synthesis, Crystal and Electronic Structures, and Physical Properties of Caged Ternary Cu-Rich Antimonide: BaCu7.31(3)Sb5
• Authors of publication: Wu-Zui Zheng; Peng Wang; Li-Ming Wu; Ling Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7491 - 7496
• a: 7.0154 ± 0.0004 Å
• b: 7.0154 ± 0.0004 Å
• c: 12.5423 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 534.58 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No