Information card for entry 7711569

Structure parameters

• Formula: Bi12.89 Br2.85 S17.15
• Calculated formula: Bi12.9 Br2.846 S17.154
• Title of publication: Modulation of transport properties via S/Br substitution: solvothermal synthesis, crystal structure, and transport properties of Bi13S17Br3
• Authors of publication: Amarasinghe, Dinesh K.; Yox, Philip; Viswanathan, Gayatri; Adeyemi, Adedoyin N.; Kovnir, Kirill
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.473 ± 0.003 Å
• b: 15.473 ± 0.003 Å
• c: 4.0041 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 830.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No