Information card for entry 4335642

Structure parameters

• Common name: Dicesium_Tin_Hexaiodide
• Formula: Cs2 I6 Sn
• Calculated formula: Cs2 I6 Sn
• SMILES: I[Sn](I)(I)(I)([I-])[I-].[Cs+].[Cs+]
• 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: 11.6276 ± 0.0009 Å
• b: 11.6276 ± 0.0009 Å
• c: 11.6276 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1572.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0322
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.483
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No