Information card for entry 7131119

Structure parameters

• Formula: C H6 I3 P Sn
• Calculated formula: C1.5036 I3 P Sn
• Title of publication: Three-dimensional narrow-bandgap perovskite semiconductor ferroelectric methylphosphonium tin triiodide for potential photovoltaic application.
• Authors of publication: Zhang, Han-Yue; Xiong, Ren-Gen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 7
• Pages of publication: 920 - 923
• a: 6.3464 ± 0.0002 Å
• b: 6.3464 ± 0.0002 Å
• c: 6.3464 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 255.613 ± 0.014 ų
• Cell temperature: 313 ± 2 K
• Ambient diffraction temperature: 313 ± 2 K
• Number of distinct elements: 5
• Space group number: 215
• Hermann-Mauguin space group symbol: P -4 3 m
• Hall space group symbol: P -4 2 3
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No