Information card for entry 4003530

Structure parameters

• Formula: Ag Ga I4 O12
• Calculated formula: Ag Ga I4 O12
• 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: 7.137 ± 0.002 Å
• b: 7.605 ± 0.002 Å
• c: 10.036 ± 0.002 Å
• α: 87.757 ± 0.004°
• β: 77.802 ± 0.004°
• γ: 80.176 ± 0.003°
• Cell volume: 524.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No