Information card for entry 1563679

Structure parameters

• Common name: Neptunium oxysulfide
• Formula: Np O S
• Calculated formula: Np O S
• Title of publication: Single-crystal structures of uranium and neptunium oxychalcogenides AnOQ (An=U, Np; Q=S, Se)
• Authors of publication: Jin, Geng Bang; Raw, Adam D.; Skanthakumar, S.; Haire, Richard G.; Soderholm, L.; Ibers, James A.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 3
• Pages of publication: 547 - 550
• a: 3.8088 ± 0.0003 Å
• b: 3.8088 ± 0.0003 Å
• c: 6.6491 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 96.458 ± 0.014 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: 0.0166
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No