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Information card for entry 2243891
Preview
| Coordinates | 2243891.cif |
|---|---|
| Structure factors | 2243891.hkl |
| Original IUCr paper | HTML |
| 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 | 8.4006 ± 0.0019 Å |
| b | 8.4006 ± 0.0019 Å |
| c | 30.111 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1840.2 ± 0.8 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 ± 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 | 0.0214 |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for significantly intense reflections | 0.0534 |
| Weighted residual factors for all reflections included in the refinement | 0.0534 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268022 (current) | 2021-08-11 | cif/ hkl/ Adding structures of 2243890, 2243891, 2243892, 2243893, 2243894 via cif-deposit CGI script. |
2243891.cif 2243891.hkl |
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Users of the data should acknowledge the original authors of the
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