Information card for entry 4339903

Structure parameters

• Chemical name: dipotassium tricopper uranium pentasulfide
• Formula: Cu3 K2 S5 U
• Calculated formula: Cu3 K2 S5 U
• Title of publication: A U(V) chalcogenide: synthesis, structure, and characterization of K2Cu3US5.
• Authors of publication: Gray, Danielle L.; Backus, Lisa A.; von Nidda, Hans-Albrecht Krug; Skanthakumar, S.; Loidl, Alois; Soderholm, L.; Ibers, James A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 6992 - 6996
• a: 3.9374 ± 0.0006 Å
• b: 13.813 ± 0.002 Å
• c: 17.5 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 951.8 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.634
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No