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Information card for entry 2106021
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| Coordinates | 2106021.cif |
|---|---|
| Structure factors | 2106021.hkl |
| Original IUCr paper | HTML |
| Chemical name | Lithium Sodium Sulphate |
|---|---|
| Formula | Li Na O4 S |
| Calculated formula | Li Na O4 S |
| SMILES | [Li+].[Na+].[O-]S(=O)(=O)[O-] |
| Title of publication | Crystal structure, atomic net charges and electric moments in pyroelectric LiNaSO~4~ at 296K |
| Authors of publication | Karppinen, Markku |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | 334 - 341 |
| a | 7.6281 ± 0.0002 Å |
| b | 7.6281 ± 0.0002 Å |
| c | 9.8562 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 496.68 ± 0.03 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 159 |
| Hermann-Mauguin space group symbol | P 3 1 c |
| Hall space group symbol | P 3 -2c |
| Residual factor for all reflections | 0.0192 |
| Residual factor for significantly intense reflections | 0.0192 |
| Weighted residual factors for all reflections included in the refinement | 0.0481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0162 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181879 (current) | 2016-04-06 | hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/60. |
2106021.cif 2106021.hkl |
| 137578 | 2015-05-31 | cif/ hkl/ Adding structures of 2106021 via cif-deposit CGI script. |
2106021.cif 2106021.hkl |
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Users of the data should acknowledge the original authors of the
structural data.