Information card for entry 7711075

Structure parameters

• Formula: C3 H9 Ag Bi I5 S
• Calculated formula: C3 H9 Ag Bi I5 S
• Title of publication: [SMe3]2[Bi2Ag2I10], a silver iodido bismuthate with an unusually small band gap
• Authors of publication: Möbs, Jakob; Pan, Sudip; Tonner-Zech, Ralf; Heine, Johanna
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.4976 ± 0.0015 Å
• b: 17.66 ± 0.003 Å
• c: 10.9308 ± 0.0019 Å
• α: 90°
• β: 92.046 ± 0.014°
• γ: 90°
• Cell volume: 1639.3 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No