Information card for entry 2017526

Structure parameters

• Chemical name: oxonium neodymium bis(sulfate)
• Formula: H3 Nd O9 S2
• Calculated formula: H3 Nd O9 S2
• SMILES: [Nd+3].[OH3+].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-]
• Title of publication: (H~3~O)Nd(SO~4~)~2~
• Authors of publication: Zhang, Zaichao; Zhang, Zhibin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: i9 - i11
• a: 8.8593 ± 0.0008 Å
• b: 7.1787 ± 0.0006 Å
• c: 10.7955 ± 0.001 Å
• α: 90°
• β: 91.671 ± 0.001°
• γ: 90°
• Cell volume: 686.28 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes