Information card for entry 1560346

Structure parameters

• Formula: Ba5.25 Pb1.75 S13 Sn3
• Calculated formula: Ba5.242 Pb1.758 S13 Sn3
• Title of publication: Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se13
• Authors of publication: Abudurusuli, Ailijiang; Ding, Hanqin; Wu, Kui
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 255
• Pages of publication: 133 - 138
• a: 12.208 ± 0.005 Å
• b: 23.499 ± 0.01 Å
• c: 8.838 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2535.4 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No