Information card for entry 2019353

Structure parameters

• Chemical name: Lithium sulfate monohydrate
• Formula: H2 Li2 O5 S
• Calculated formula: H2 Li2 O5 S
• SMILES: [Li+].[Li][OH2].S(=O)(=O)([O-])[O-]
• Title of publication: Investigations of the bond-selective response in a piezoelectric Li2SO4·H2O crystal to an applied external electric field
• Authors of publication: Schmidt, O.; Gorfman, S.; Bohatý, L.; Neumann, E.; Engelen, B.; Pietsch, U.
• Journal of publication: Acta Crystallographica Section A Foundations of Crystallography
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: 267 - 275
• a: 5.4484 ± 0.0002 Å
• b: 4.8339 ± 0.0002 Å
• c: 8.1407 ± 0.0002 Å
• α: 90°
• β: 107.191 ± 0.002°
• γ: 90°
• Cell volume: 204.823 ± 0.013 ų
• Cell temperature: 90 ± 5 K
• Ambient diffraction temperature: 90 ± 5 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0189
• Residual factor for significantly intense reflections: 0.0143
• Weighted residual factors for all reflections: 0.0246
• Weighted residual factors for all reflections included in the refinement: 0.0179
• Goodness-of-fit parameter for all reflections included in the refinement: 5.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No