Information card for entry 7234466

Structure parameters

• Formula: Ba2 Sb2 Se5
• Calculated formula: Ba2 Sb2 Se5
• 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: 8.4034 ± 0.0015 Å
• b: 27.567 ± 0.005 Å
• c: 4.6422 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1075.4 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• 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: 0.0423
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No