Information card for entry 4001945

Structure parameters

• Formula: Ag I3 O8
• Calculated formula: Ag I3 O8
• Title of publication: α-AgI3O8and β-AgI3O8with Large SHG Responses: Polymerization of IO3Groups into the I3O8Polyiodate Anion
• Authors of publication: Xu, Xiang; Hu, Chun-Li; Li, Bing-Xuan; Yang, Bing-Ping; Mao, Jiang-Gao
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 3219
• a: 8.1283 ± 0.0001 Å
• b: 8.1283 ± 0.0001 Å
• c: 23.4603 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1550 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0206
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No