Information card for entry 4337049

Structure parameters

• Formula: Pb S4 Tl2 Zr
• Calculated formula: Pb S4 Tl2 Zr
• Title of publication: New Layered-Type Quaternary Chalcogenides, Tl2PbMQ4 (M= Zr, Hf;Q= S, Se): Structure, Electronic Structure, and Electrical Transport Properties
• Authors of publication: Cheriyedath Raj Sankar; Abdeljalil Assoud; Holger Kleinke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13869 - 13874
• a: 15.455 ± 0.004 Å
• b: 8.214 ± 0.002 Å
• c: 6.7513 ± 0.0017 Å
• α: 90°
• β: 109.093 ± 0.003°
• γ: 90°
• Cell volume: 809.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No