Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1532133
Preview
| Coordinates | 1532133.cif |
|---|
| Chemical name | Na (O H) (H2 O) |
|---|---|
| Formula | H3 Na O2 |
| Calculated formula | H3 Na O2 |
| SMILES | [OH-].[Na+].O |
| 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.; Bylaska, E.J.; Rosso, K.M.; Felmy, A.R. |
| Journal of publication | American Mineralogist |
| Year of publication | 2003 |
| Journal volume | 88 |
| Pages of publication | 436 - 449 |
| a | 11.96 Å |
| b | 6.221 Å |
| c | 6.134 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 456.389 Å3 |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| 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. |
1532133.cif |
| 157773 | 2015-09-18 | cif/ Adding structures of 1532133 via cif-deposit CGI script. |
1532133.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.