Information card for entry 4307993

Structure parameters

• Formula: Bi P2 S6 Tl
• Calculated formula: Bi P2 S6 Tl
• Title of publication: Wide Compositional and Structural Diversity in the System Tl/Bi/P/Q (Q = S, Se) and Observation of Vicinal P-Tl J Coupling in the Solid State
• Authors of publication: Matthew A. Gave; Christos D. Malliakas; David P. Weliky; Mercouri G. Kanatzidis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3632 - 3644
• a: 6.5967 ± 0.0012 Å
• b: 7.3749 ± 0.0014 Å
• c: 9.7911 ± 0.0018 Å
• α: 90°
• β: 91.27 ± 0.003°
• γ: 90°
• Cell volume: 476.22 ± 0.15 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No