Information card for entry 1532133

Structure parameters

• Chemical name: Na (O H) (H2 O)
• Formula: H3 Na O2
• Calculated formula: H3 Na O2
• SMILES: [OH-].[Na+].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.; Bylaska, E.J.; Rosso, K.M.; Felmy, A.R.
• Journal of publication: American Mineralogist
• Year of publication: 2003
• Journal volume: 88
• Pages of publication: 436 - 449
• a: 11.96 Å
• b: 6.221 Å
• c: 6.134 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 456.389 ų
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No