Information card for entry 2010577

Structure parameters

• Common name: Bismuth Selenide Iodide
• Chemical name: Bismuth Selenide Iodide
• Formula: Bi I Se
• Calculated formula: Bi I Se
• SMILES: [Bi]12[Se][Bi]34(I)[Se]1[Bi]1(I)([I]2)[Se]3[Bi]([I]4)[Se]1
• Title of publication: Bismuth selenide iodide
• Authors of publication: Braun, Thomas P.; DiSalvo, Francis J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: e1 - e2
• a: 8.6967 ± 0.0017 Å
• b: 4.2205 ± 0.0008 Å
• c: 10.574 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 388.11 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes