Information card for entry 2243893

Structure parameters

• Chemical name: Sodium-Lithium-Sulfate-Hexahydrate
• Formula: H12 Li Na3 O14 S2
• Calculated formula: H12 Li Na3 O14 S2
• SMILES: O=S(=O)([O-])[O-].[O-]S(=O)(=O)[O-].O.O.O.O.O.O.[Li+].[Na+].[Na+].[Na+]
• Title of publication: LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH
• Authors of publication: Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 9
• a: 8.4337 ± 0.0017 Å
• b: 8.4337 ± 0.0017 Å
• c: 30.235 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1862.4 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0198
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.277
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes