Information card for entry 4003497

Structure parameters

• Formula: I4 O12 Sn
• Calculated formula: I4 O12 Sn
• Title of publication: Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F2
• Authors of publication: Luo, Min; Liang, Fei; Hao, Xia; Lin, Donghong; Li, Bingxuan; Lin, Zheshuai; Ye, Ning
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 2615 - 2620
• a: 5.0576 ± 0.0005 Å
• b: 6.2808 ± 0.0006 Å
• c: 8.3865 ± 0.0008 Å
• α: 87.68 ± 0.002°
• β: 88.647 ± 0.001°
• γ: 89.031 ± 0.001°
• Cell volume: 266.08 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No