Information card for entry 7710000

Structure parameters

• Common name: Pb5Sn5S10Cl2
• Formula: Ba0 Cl2 Pb5 S10 Sn3
• Calculated formula: Cl2 Pb5 S10 Sn3
• Title of publication: AIn4S6Cl (A = Rb and Cs) and Pb5Sn3Q10Cl2 (Q = S and Se): quaternary chalcohalides with mixed anionic coordination exhibit photocurrent responses
• Authors of publication: Jiang, Lin-Tao; Li, Ming-Ze; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 20.613 ± 0.002 Å
• b: 11.9109 ± 0.001 Å
• c: 3.8957 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 956.47 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 65
• Hermann-Mauguin space group symbol: C m m m
• Hall space group symbol: -C 2 2
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No