Information card for entry 7237225

Structure parameters

• Formula: C3 H18 I9 N3 Sb2
• Calculated formula: C2 I9 Sb2
• Title of publication: Narrow band gap and high mobility of lead-free perovskite single crystal Sn-doped MA3Sb2I9
• Authors of publication: Ju, Dianxing; Jiang, Xiaomei; Xiao, Hang; Chen, Xi; Hu, Xiaobo; Tao, Xutang
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 42
• Pages of publication: 20753
• a: 8.5508 ± 0.001 Å
• b: 8.5508 ± 0.001 Å
• c: 21.53 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1363.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No