Information card for entry 7044782

Structure parameters

• Formula: Sc Te2 Tl0.975
• Calculated formula: Sc Te2 Tl0.9753
• Title of publication: Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ2, Q= Se, Te
• Authors of publication: Aswathy, Vijayakumar Sajitha; Sankar, Cheriyedath Raj; Varma, Manoj Raama; Assoud, Abdeljalil; Bieringer, Mario; Kleinke, Holger
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 4.2173 ± 0.0006 Å
• b: 4.2173 ± 0.0006 Å
• c: 24.112 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 371.39 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0124
• Residual factor for significantly intense reflections: 0.0123
• Weighted residual factors for significantly intense reflections: 0.0283
• Weighted residual factors for all reflections included in the refinement: 0.0284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No