Information card for entry 1562718

Structure parameters

• Formula: Ba3.69 S6 U
• Calculated formula: Ba3.694 S6 U
• Title of publication: Syntheses and crystal structures of three barium uranium sulfides
• Authors of publication: Mesbah, Adel; Ibers, James A.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2013
• Journal volume: 199
• Pages of publication: 253 - 257
• a: 12.1193 ± 0.0011 Å
• b: 12.1193 ± 0.0011 Å
• c: 14.8934 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1894.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0189
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No