Information card for entry 7044391

Structure parameters

• Formula: Ba12 S23 Sn4
• Calculated formula: Ba11.98 S23 Sn4
• 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: 13.406 ± 0.005 Å
• b: 12.423 ± 0.006 Å
• c: 26.849 ± 0.01 Å
• α: 90°
• β: 95.82 ± 0.003°
• γ: 90°
• Cell volume: 4448 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No