Information card for entry 4337709

Structure parameters

• Formula: Ba3 Fe S6 U
• Calculated formula: Ba3 Fe S6 U
• Title of publication: Syntheses, Structures, and Electronic Properties of Ba3FeUS6 and Ba3AgUS6.
• Authors of publication: Mesbah, Adel; Malliakas, Christos D.; Lebègue, Sébastien; Sarjeant, Amy A.; Stojko, Wojciech; Koscielski, Lukasz A.; Ibers, James A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2899 - 2903
• a: 12.0314 ± 0.0004 Å
• b: 12.0314 ± 0.0004 Å
• c: 13.3812 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1677.48 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0213
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.336
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No