Information card for entry 4003533

Structure parameters

• Formula: Ga H I6 K2 O18
• Calculated formula: Ga H I6 K2 O18
• Title of publication: Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates
• Authors of publication: Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• Journal volume: 32
• Journal issue: 8
• Pages of publication: 3621 - 3630
• a: 7.5396 ± 0.0003 Å
• b: 7.5656 ± 0.0003 Å
• c: 7.595 ± 0.0003 Å
• α: 99.546 ± 0.001°
• β: 96.843 ± 0.001°
• γ: 96.51 ± 0.001°
• Cell volume: 420.25 ± 0.03 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No