Information card for entry 1532134

Structure parameters

• Chemical name: Na (O H) (H2 O)3.5
• Formula: H8 Na O4.5
• Calculated formula: H8 Na O4.5
• SMILES: [OH-].[Na+].O.O.O.O
• Title of publication: Ab initio investigation of the structures of Na O H hydrates and their Na(+) and (O H)(-) coordination polyhedra
• Authors of publication: Rustad, J.R.; Felmy, A.R.; Bylaska, E.J.; Rosso, K.M.
• Journal of publication: American Mineralogist
• Year of publication: 2003
• Journal volume: 88
• Pages of publication: 436 - 449
• a: 6.567 Å
• b: 12.514 Å
• c: 11.829 Å
• α: 90°
• β: 104.14°
• γ: 90°
• Cell volume: 942.648 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No