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Information card for entry 2107062
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| Coordinates | 2107062.cif |
|---|
| Chemical name | Na (H2 P O4) (H2 O)2 |
|---|---|
| Formula | H6 Na O6 P |
| Calculated formula | H6 Na O6 P |
| SMILES | OP(=O)([O-])O.[Na+].O.O |
| Title of publication | Hydrogen bonding in the cristalline state. The crystal structure of Na H2 P O4 (H2 O) by X-ray and neutron diffraction |
| Authors of publication | Bartl, H.; Catti, M.; Ferraris, G. |
| Journal of publication | Acta Crystallographica B (24,1968-38,1982) |
| Year of publication | 1976 |
| Journal volume | 32 |
| Pages of publication | 987 - 994 |
| a | 7.275 Å |
| b | 11.384 Å |
| c | 6.606 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 547.1 Å3 |
| Number of distinct elements | 4 |
| 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. |
2107062.cif |
| 166060 | 2015-10-12 | cif/ Adding structures of 2107062 via cif-deposit CGI script. |
2107062.cif |
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Users of the data should acknowledge the original authors of the
structural data.