Information card for entry 4344956

Structure parameters

• Common name: Ethylammonium Tin Iodide
• Formula: C2 H8 I3 N Sn
• Calculated formula: C1.9999 I3 N Sn
• Title of publication: Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.
• Authors of publication: Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 56 - 73
• a: 8.966 ± 0.0007 Å
• b: 8.966 ± 0.0007 Å
• c: 23.079 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1606.7 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for significantly intense reflections: 1.99
• Goodness-of-fit parameter for all reflections included in the refinement: 1.82
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No