Information card for entry 4331367

Structure parameters

• Common name: Ba2US6
• Formula: Ba2 S6 U
• Calculated formula: Ba2 S6 U
• Title of publication: Ba2An(S2)2S2 (An = U, Th): Syntheses, Structures, Optical, and Electronic Properties
• Authors of publication: Adel Mesbah; Emilie Ringe; Sébastien Lebègue; Richard P. Van Duyne; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13390 - 13395
• a: 5.4145 ± 0.0002 Å
• b: 5.4145 ± 0.0002 Å
• c: 15.7322 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 461.22 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for all reflections: 0.0183
• Residual factor for significantly intense reflections: 0.0144
• Weighted residual factors for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.0346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.651
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No