Information card for entry 2108014

Structure parameters

• Chemical name: rubidium hydrogensulfate
• Formula: H O4 Rb S
• Calculated formula: H O4 Rb S
• SMILES: [Rb+].[O-]S(=O)(=O)O
• Title of publication: Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate
• Authors of publication: Binns, Jack; McIntyre, Garry J.; Parsons, Simon
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 6
• Pages of publication: 855 - 863
• a: 14.3602 ± 0.0019 Å
• b: 4.6156 ± 0.0006 Å
• c: 14.413 ± 0.002 Å
• α: 90°
• β: 118.069 ± 0.008°
• γ: 90°
• Cell volume: 842.9 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections: 0.1444
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9998
• Diffraction radiation wavelength: 0.85 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes