Information card for entry 7720887

Structure parameters

• Chemical name: Pb4Sb4Se9Cl2
• Formula: Cl2 Pb4 Sb4 Se9
• Calculated formula: Cl1.9 Pb4 Sb4 Se9.1
• 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
• Year of publication: 2026
• a: 15.398 ± 0.006 Å
• b: 16.093 ± 0.007 Å
• c: 4.176 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1034.8 ± 0.8 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: 0.0453
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No