Information card for entry 4003531

Structure parameters

• Formula: Ag3 I12 In3 O36
• Calculated formula: Ag3 I12 In3 O36
• 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: 7.342 ± 0.0015 Å
• b: 15.218 ± 0.003 Å
• c: 14.997 ± 0.003 Å
• α: 90°
• β: 101.01 ± 0.03°
• γ: 90°
• Cell volume: 1644.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No