Information card for entry 7234467

Structure parameters

• Formula: Ba6 Sb7 Se16.11
• Calculated formula: Ba6 Sb7.001 Se16.116
• Title of publication: Synthesis, crystal structure, and thermoelectric properties of two new barium antimony selenides: Ba2Sb2Se5 and Ba6Sb7Se16.11
• Authors of publication: Jian Wang; Kathleen Lee; Kirill Kovnir
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 9811 - 9818
• a: 12.4691 ± 0.0015 Å
• b: 62.421 ± 0.007 Å
• c: 4.6305 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3604.1 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No