Information card for entry 4003527

Structure parameters

• Formula: I5 K2 Na O14
• Calculated formula: I5 K2 Na O14
• Title of publication: K2Na(IO3)2(I3O8) with Strong Second Harmonic Generation Response Activated by Two Types of Isolated Iodate Anions
• Authors of publication: Abudouwufu, Tushagu; Zhang, Min; Cheng, Shichao; Zeng, Hao; Yang, Zhihua; Pan, Shilie
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• Journal volume: 32
• Journal issue: 8
• Pages of publication: 3608 - 3614
• a: 11.4483 ± 0.0006 Å
• b: 8.1332 ± 0.0005 Å
• c: 7.8077 ± 0.0004 Å
• α: 90°
• β: 90.239 ± 0.004°
• γ: 90°
• Cell volume: 726.98 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No