Information card for entry 4134529

Structure parameters

• Formula: Cs F O7 P2 Si
• Calculated formula: Cs F O7 P2 Si
• Title of publication: Designing a Deep-UV Nonlinear Optical Fluorooxosilicophosphate.
• Authors of publication: Ding, Qingran; Liu, Xiaomeng; Zhao, Sangen; Wang, Yusong; Li, Yanqiang; Li, Lina; Liu, Shuai; Lin, Zheshuai; Hong, Maochun; Luo, Junhua
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 4.5525 ± 0.0009 Å
• b: 7.9999 ± 0.0016 Å
• c: 9.5565 ± 0.0019 Å
• α: 90°
• β: 99.77 ± 0.03°
• γ: 90°
• Cell volume: 343 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No