Information card for entry 7709683

Structure parameters

• Formula: N6 Na Np3 O25
• Calculated formula: N6 Na Np3 O25
• Title of publication: Use of vibrational spectroscopy to identify the formation of neptunyl–neptunyl interactions: a paired density functional theory and Raman spectroscopy study
• Authors of publication: Pyrch, Mikaela M.; Augustine, Logan J.; Williams, James M.; Mason, Sara E.; Forbes, Tori Z.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.1842 ± 0.0005 Å
• b: 8.1842 ± 0.0005 Å
• c: 11.2773 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 654.17 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.0132
• Residual factor for significantly intense reflections: 0.0132
• Weighted residual factors for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No