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Information card for entry 2237973
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| Coordinates | 2237973.cif |
|---|---|
| Structure factors | 2237973.hkl |
| Original IUCr paper | HTML |
| Common name | Li3[AsS4].8H2O |
|---|---|
| Chemical name | Trilithium thioarsenate octahydrate |
| Formula | As H16 Li3 O8 S4 |
| Calculated formula | As H16 Li3 O8 S4 |
| SMILES | O.O.O.O.O.O.O.O.S=[As]([S-])([S-])[S-].[Li+].[Li+].[Li+] |
| Title of publication | Trilithium thioarsenate octahydrate |
| Authors of publication | Mereiter, Kurt |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | i30 - i31 |
| a | 10.036 ± 0.002 Å |
| b | 10.064 ± 0.002 Å |
| c | 14.264 ± 0.003 Å |
| α | 90° |
| β | 107.3 ± 0.01° |
| γ | 90° |
| Cell volume | 1375.5 ± 0.5 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0515 |
| Weighted residual factors for all reflections included in the refinement | 0.0573 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181301 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/79. |
2237973.cif 2237973.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2237973.cif 2237973.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237973.cif 2237973.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237973.cif 2237973.hkl |
| 86670 | 2013-07-11 | cif/ Adding structures of 2237973 via cif-deposit CGI script. |
2237973.cif |
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Users of the data should acknowledge the original authors of the
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