Information card for entry 1567381

Structure parameters

• Chemical name: Tin tellurium selenide
• Formula: Se0.27 Sn Te0.73
• Calculated formula: Se0.27 Sn Te0.73
• Title of publication: Rerefinement of the crystal structure of SnTe~0.73(2)~Se~0.27(2)~ from single-crystal X-ray diffraction data
• Authors of publication: Moris, Silvana; Galdámez, Antonio
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 7
• Pages of publication: x220729
• a: 6.1595 ± 0.0005 Å
• b: 6.1595 ± 0.0005 Å
• c: 6.1595 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 233.69 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.485
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes