Information card for entry 1560590

Structure parameters

• Formula: Cs2 O16 S0.96 Se2.05 U2
• Calculated formula: Cs2 O16 S0.958 Se2.042 U2
• Title of publication: Selective Se-for-S substitution in Cs-bearing uranyl compounds
• Authors of publication: Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 248
• Pages of publication: 126 - 133
• a: 9.7828 ± 0.0014 Å
• b: 9.7828 ± 0.0014 Å
• c: 8.1537 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 780.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No