Information card for entry 4003917

Structure parameters

• Formula: Ce F2 I2 O6
• Calculated formula: Ce F2 I2 O6
• Title of publication: A New Anhydrous Polar Rare-Earth Iodate Fluoride, Ce(IO3)2F2, Exhibiting a Large Second-Harmonic-Generation Effect and Improved Overall Performance
• Authors of publication: Zhang, Xiao-Han; Yang, Bing-Ping; Hu, Chun-Li; Chen, Jin; Huang, Qian-Ming; Mao, Jiang-Gao
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 2894 - 2900
• a: 8.0451 ± 0.0008 Å
• b: 6.8485 ± 0.0005 Å
• c: 11.7325 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 646.42 ± 0.1 ų
• Cell temperature: 100.01 ± 0.15 K
• Ambient diffraction temperature: 100.01 ± 0.15 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No