Information card for entry 4342745

Structure parameters

• Common name: BaUP2S8
• Formula: Ba P2 S8 U
• Calculated formula: Ba P2 S8 U
• Title of publication: Syntheses, Crystal Structures, Optical and Theoretical Studies of the Actinide Thiophosphates SrU(PS4)2, BaU(PS4)2, and SrTh(PS4)2.
• Authors of publication: Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2970 - 2975
• a: 11.1405 ± 0.0004 Å
• b: 11.1405 ± 0.0004 Å
• c: 9.6604 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1198.96 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 135
• Hermann-Mauguin space group symbol: P 42/m b c
• Hall space group symbol: -P 4c 2ab
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No