Information card for entry 1565568

Structure parameters

• Formula: F4 I3 K3 O12 V2
• Calculated formula: F4 I3 K3 O12 V2
• SMILES: [K+].[K+].O([V](F)(F)(O[I](=O)=O)(O[I](=O)=O)=O)[V](F)(F)(O[I](=O)=O)=O.[K+]
• Title of publication: K3V2O3F4(IO3)3: a high-performance SHG crystal containing both five and six-coordinated V5+ cations
• Authors of publication: Chen, Jin; Hu, Chun-Li; Lin, Yi-Lin; Chen, Yan; Chen, Qian-Qian; Mao, Jiang-Gao
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 454 - 460
• a: 11.6074 ± 0.0009 Å
• b: 8.5215 ± 0.0007 Å
• c: 15.0981 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1493.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No