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Information card for entry 4002313
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| Coordinates | 4002313.cif |
|---|
| Chemical name | Cs2 Na (H S O4)3 |
|---|---|
| Formula | Cs2 H3 Na O12 S3 |
| Calculated formula | Cs2 H3 Na O12 S3 |
| SMILES | S(=O)(=O)([O-])O.S(=O)(=O)([O-])O.S(=O)(=O)([O-])O.[Na+].[Cs+].[Cs+] |
| Title of publication | Synthesis, structure and properties of compounds in the Na H S O4 -Cs H S O4 system. 1. Crystal structures of Cs2 Na (H S O4)3 and Cs Na2 (H S O4)3 |
| Authors of publication | Chisholm, C.R.I.; Cowan, L.A.; Haile, S.M.; Klooster, W.T. |
| Journal of publication | Chemistry of Materials (1,1989-) |
| Year of publication | 2001 |
| Journal volume | 13 |
| Pages of publication | 2574 - 2583 |
| a | 8.5712 Å |
| b | 8.5712 Å |
| c | 9.98 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 634.957 Å3 |
| Number of distinct elements | 5 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4002313.cif |
| 146825 | 2015-07-12 | cif/ Adding structures of 4002313 via cif-deposit CGI script. |
4002313.cif |
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Users of the data should acknowledge the original authors of the
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