Information card for entry 2106835

Structure parameters

• Chemical name: Zr2 (S O4)4 (H2 O)14
• Formula: H28 O30 S4 Zr2
• Calculated formula: O30 S4 Zr2
• SMILES: [Zr]12([OH2])([OH2])([OH2])([OH2])(OS(=O)(=O)O1)OS(=O)(=O)O[Zr]1([OH2])([OH2])([OH2])([OH2])(OS(=O)(=O)O1)OS(=O)(=O)O2.O.O.O.O.O.O
• Title of publication: The Crystal Chemistry of Zirconium Sulphates. I. The Structure of the Heptahydrate, a Dimer with the Formula Zr2 (S O4)4 (H2 O)7
• Authors of publication: Bear, I.J.; Mumme, W.G.
• Journal of publication: Acta Crystallographica B (24,1968-38,1982)
• Year of publication: 1969
• Journal volume: 25
• Pages of publication: 1558 - 1565
• a: 12.04 Å
• b: 6.36 Å
• c: 8.28 Å
• α: 93°
• β: 92.4°
• γ: 95.9°
• Cell volume: 629.1 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No