Information card for entry 4329799

Structure parameters

• Common name: thorium oxysulfide
• Chemical name: thorium(IV) oxide sulfide
• Formula: O S Th
• Calculated formula: O S Th
• SMILES: [Th+4].[S-2].[O-2]
• Title of publication: Single-Crystal Structures, Optical Absorptions, and Electronic Distributions of Thorium Oxychalcogenides ThOQ (Q = S, Se, Te)
• Authors of publication: Lukasz A. Koscielski; Emilie Ringe; Richard P. Van Duyne; Donald E. Ellis; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8112 - 8118
• a: 3.958 ± 0.0002 Å
• b: 3.958 ± 0.0002 Å
• c: 6.7468 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 105.694 ± 0.009 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0134
• Residual factor for significantly intense reflections: 0.0134
• Weighted residual factors for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections included in the refinement: 0.0298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.781
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No