Information card for entry 4002832

Structure parameters

• Formula: Bi12.67 I2 S18
• Calculated formula: Bi12.9516 I2 S18
• Title of publication: Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures
• Authors of publication: Groom, Ryan; Jacobs, Allison; Cepeda, Marisa; Drummey, Rachel; Latturner, Susan E.
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• a: 15.612 ± 0.002 Å
• b: 15.612 ± 0.002 Å
• c: 4.0168 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 847.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0178
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections included in the refinement: 0.0359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No