Information card for entry 7128019

Structure parameters

• Formula: Ag2 Bi2 I4 O20 S2
• Calculated formula: Ag2 Bi2 I4 O20 S2
• Title of publication: AgBi(SO₄)(IO₃)₂: aliovalent substitution induces structure dimensional upgrade and second harmonic generation enhancement.
• Authors of publication: Liu, Hongming; Wu, Qingchen; Liu, Lili; Lin, Zheshuai; Halasyamani, P. Shiv; Chen, Xingguo; Qin, Jingui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 30
• Pages of publication: 3712 - 3715
• a: 5.5189 ± 0.0004 Å
• b: 6.9129 ± 0.0004 Å
• c: 11.8527 ± 0.0008 Å
• α: 90.598 ± 0.001°
• β: 92.151 ± 0.001°
• γ: 109.895 ± 0.001°
• Cell volume: 424.78 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No