Information card for entry 4003532

Structure parameters

• Formula: Ag3 I6 In O18
• Calculated formula: Ag3 I6 In 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: 8.116 ± 0.0016 Å
• b: 10.426 ± 0.002 Å
• c: 11.11 ± 0.002 Å
• α: 75.09 ± 0.03°
• β: 89.91 ± 0.03°
• γ: 76.2 ± 0.03°
• Cell volume: 880.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No