Information card for entry 2310154

Structure parameters

• Formula: As39.51 Pb6.13 S136 Sb41.51 Tl16.85
• Calculated formula: As39.505 Pb6.133 S136 Sb41.512 Tl16.85
• Title of publication: Structure of Pb-rich chabournéite from Jas Roux, France.
• Authors of publication: Biagioni, Cristian; Moëlo, Yves; Favreau, Georges; Bourgoin, Vincent; Boulliard, Jean Claude
• Journal of publication: Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: 81 - 88
• a: 8.5197 ± 0.0004 Å
• b: 42.461 ± 0.002 Å
• c: 16.293 ± 0.008 Å
• α: 83.351 ± 0.002°
• β: 90.958 ± 0.002°
• γ: 84.275 ± 0.002°
• Cell volume: 5823 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1529
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes