Information card for entry 4332077

Structure parameters

• Common name: potassium diuranium hexasulfide
• Formula: K0.91 S6 U1.79
• Calculated formula: K0.91 S6 U1.794
• Title of publication: Structures and Bonding in K0.91U1.79S6and KU2Se6
• Authors of publication: Mizoguchi, Hiroshi; Gray, Danielle; Huang, Fu Qiang; Ibers, James A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3307 - 3311
• a: 4.0321 ± 0.0004 Å
• b: 5.3929 ± 0.0005 Å
• c: 20.556 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 446.98 ± 0.07 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No