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Information card for entry 1532136
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| Coordinates | 1532136.cif |
|---|
| Chemical name | Na (O H) (H2 O)4 |
|---|---|
| Formula | H9 Na O5 |
| Calculated formula | H9 Na O5 |
| SMILES | O.[Na+].O.O.O.[OH-] |
| Title of publication | Ab initio investigation of the structures of Na O H hydrates and their Na(+) and (O H)(-) coordination polyhedra |
| Authors of publication | Rustad, J.R.; Rosso, K.M.; Felmy, A.R.; Bylaska, E.J. |
| Journal of publication | American Mineralogist |
| Year of publication | 2003 |
| Journal volume | 88 |
| Pages of publication | 436 - 449 |
| a | 6.621 Å |
| b | 6.506 Å |
| c | 13.231 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 569.942 Å3 |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| 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. |
1532136.cif |
| 157776 | 2015-09-18 | cif/ Adding structures of 1532136 via cif-deposit CGI script. |
1532136.cif |
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Users of the data should acknowledge the original authors of the
structural data.