Information card for entry 1560711

Structure parameters

• Formula: Ag4 Ba5 Se12 U2.5
• Calculated formula: Ag4 Ba5 Se12 U2.5
• Title of publication: Syntheses, modulated crystal structures of Ba6−2xU2+xAg4Se12 (x = 0 and 0.5), and crystal structure and spectroscopy of Sr4Th2.78Cu4S12
• Authors of publication: Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Malliakas, Christos D.; Lebègue, Sébastien; Ibers, James A.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 268
• Pages of publication: 30 - 35
• a: 4.3496 ± 0.0002 Å
• b: 13.9735 ± 0.0007 Å
• c: 10.562 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 641.95 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for significantly intense reflections: 4.32
• Goodness-of-fit parameter for all reflections included in the refinement: 3.88
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No