Information card for entry 7044390

Structure parameters

• Formula: Ba7 S13 Sn3
• Calculated formula: Ba6.96 S13 Sn3
• Title of publication: Syntheses and characterization of three new sulfides with large band gaps: acentric Ba4Ga4SnS12, centric Ba12Sn4S23 and Ba7Sn3S13
• Authors of publication: Duan, Rui-Huan Huan; Liu, Peng-Fei; Lin, Hua; Huang-Fu, Shang-Xiong; Wu, Li-Ming
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.386 ± 0.005 Å
• b: 24.173 ± 0.011 Å
• c: 8.872 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2656 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No