Information card for entry 4003133

Structure parameters

• Formula: Ag5 Cs S2 Te
• Calculated formula: Ag5 Cs S2 Te
• Title of publication: Two-Dimensional CsAg5Te3‒xSx Semiconductors: Multi-anion Chalcogenides with Dynamic Disorder and Ultralow Thermal Conductivity
• Authors of publication: Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Alexander, Grant C. B.; Chan, Maria K. Y.; Kanatzidis, Mercouri G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 7245
• a: 4.316 ± 0.0003 Å
• b: 4.316 ± 0.0003 Å
• c: 11.2486 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 209.54 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.0146
• Residual factor for significantly intense reflections: 0.0144
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No