Information card for entry 2100943

Structure parameters

• Formula: H2 O6 S Ti
• Calculated formula: H2 O6 S Ti
• SMILES: [Ti](=O)[OH2].S(=O)(=O)([O-])[O-]
• Title of publication: Structure of anhydrous titanyl sulfate, titanyl sulfate monohydrate and prediction of a new structure
• Authors of publication: Gatehouse, B. M.; Platts, S. N.; Williams, T. B.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 428 - 435
• a: 9.818 ± 0.001 Å
• b: 5.133 ± 0.001 Å
• c: 8.614 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 434.11 ± 0.14 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No