Information card for entry 4003588

Structure parameters

• Chemical name: Ba(IO2F2)2
• Formula: Ba F4 I2 O4
• Calculated formula: Ba F4 I2 O4
• Title of publication: New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO3F)2‒ Units
• Authors of publication: Gai, Minqiang; Tong, Tinghao; Wang, Ying; Yang, Zhihua; Pan, Shilie
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 10.747 ± 0.004 Å
• b: 7.161 ± 0.003 Å
• c: 9.086 ± 0.003 Å
• α: 90°
• β: 93.748 ± 0.004°
• γ: 90°
• Cell volume: 697.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No