Information card for entry 7720886

Structure parameters

• Chemical name: Pb4Sb4S9Cl2
• Formula: Cl2 Pb4 S9 Sb4
• Calculated formula: Cl1.9 Pb4 S9.1 Sb4
• Title of publication: Layered mixed-anion chalcohalides Pb₄Sb₄Q₉Cl₂ (Q = S, Se): puckered 2D frameworks, indirect band gaps, and low thermal conductivity.
• Authors of publication: Huang, Yen-Han; Chen, Guan-Ruei; Lee, Chi-Shen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 18
• Pages of publication: 7381 - 7391
• a: 15.031 ± 0.0017 Å
• b: 15.5373 ± 0.0016 Å
• c: 4.0769 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 952.12 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No