Information card for entry 4335636

Structure parameters

• Common name: beta-Methylammonium_Tin_Iodide
• Formula: C H6 I3 N Sn
• Calculated formula: C I3 N Sn
• Title of publication: Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties
• Authors of publication: Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9019 - 9038
• a: 8.7577 ± 0.0015 Å
• b: 8.7577 ± 0.0015 Å
• c: 12.429 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 953.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 108
• Hermann-Mauguin space group symbol: I 4 c m
• Hall space group symbol: I 4 -2c
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No