Information card for entry 2107519

Structure parameters

• Common name: Tin Selenide
• Formula: Se Sn0.9816
• Calculated formula: Se Sn0.9816
• Title of publication: Crystal structure and phase transition of thermoelectric SnSe
• Authors of publication: Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 310 - 316
• a: 11.70577 ± 0.00016 Å
• b: 4.30722 ± 0.00016 Å
• c: 4.29911 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 216.758 ± 0.012 ų
• Cell temperature: 805 ± 5 K
• Ambient diffraction temperature: 805 ± 5 K
• Number of distinct elements: 2
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0156
• Goodness-of-fit parameter for all reflections: 2.26
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.50021 Å
• Diffraction radiation type: Synchrotron,monochromatic
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes