Information card for entry 7044389

Structure parameters

• Formula: Ba4 Ga4 S12 Sn
• Calculated formula: Ba4 Ga4.01 S12 Sn0.98
• 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: 13.0665 ± 0.0006 Å
• b: 13.0665 ± 0.0006 Å
• c: 6.304 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1076.3 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 0.33
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No