Information card for entry 4324291

Structure parameters

• Common name: Molybdenum(VI)-dioxide-sulfate
• Formula: Mo O6 S
• Calculated formula: Mo O6 S
• SMILES: [Mo](=O)=O.S(=O)(=O)([O-])[O-]
• Title of publication: Sulfates of the Refractory Metals: Crystal Structure and Thermal Behavior of Nb2O2(SO4)3, MoO2(SO4), WO(SO4)2, and Two Modifications of Re2O5(SO4)2
• Authors of publication: Ulf Betke; Mathias S. Wickleder
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 858 - 872
• a: 8.5922 ± 0.0006 Å
• b: 12.2951 ± 0.0006 Å
• c: 25.671 ± 0.002 Å
• α: 90°
• β: 94.567 ± 0.009°
• γ: 90°
• Cell volume: 2703.3 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No