Information card for entry 7022830

Structure parameters

• Formula: I3 O13 Tl V2
• Calculated formula: I3 O13 Tl V2
• Title of publication: Tl(VO)2O2(IO3)3: a new polar material with a strong SHG response.
• Authors of publication: Huang, Chao; Hu, Chun-Li; Xu, Xiang; Yang, Bing-Ping; Mao, Jiang-Gao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 7051 - 7058
• a: 14.1143 ± 0.0017 Å
• b: 10.2116 ± 0.0012 Å
• c: 8.0319 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1157.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 46
• Hermann-Mauguin space group symbol: I m a 2
• Hall space group symbol: I 2 -2a
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No