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Information card for entry 1520826
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| Coordinates | 1520826.cif |
|---|
| Chemical name | (Na H2 P O4) (H3 P O4) |
|---|---|
| Formula | H5 Na O8 P2 |
| Calculated formula | H5 Na O8 P2 |
| SMILES | P(=O)([O-])(O)O.[Na+].OP(=O)(O)O |
| Title of publication | Structure, phase transition and vibrational spectra of the Na H5 (P O4)2 and Na D5 (P O4)2 crystals |
| Authors of publication | Baran, J.; Lis, T.; Drozd, M.; Ratajczak, H. |
| Journal of publication | Journal of Molecular Structure |
| Year of publication | 2000 |
| Journal volume | 516 |
| Pages of publication | 185 - 202 |
| a | 8.464 Å |
| b | 7.817 Å |
| c | 10.337 Å |
| α | 90° |
| β | 90.58° |
| γ | 90° |
| Cell volume | 683.893 Å3 |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| 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. |
1520826.cif |
| 140375 | 2015-07-06 | cif/ Adding structures of 1520826 via cif-deposit CGI script. |
1520826.cif |
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Users of the data should acknowledge the original authors of the
structural data.