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Information card for entry 4343940
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| Coordinates | 4343940.cif |
|---|
| Chemical name | Na Be H3 |
|---|---|
| Formula | Be H3 Na |
| Calculated formula | Be H3 Na |
| SMILES | [Be+2].[H-].[H-].[H-].[Na+] |
| Title of publication | Structural phase stability stusdies on M Be H3 (M = Li, Na, K, Rb, Cs) from density functional calculations |
| Authors of publication | Vajeeston, P.; Fjellvag, H.; Ravindran, P. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 508 - 514 |
| a | 3.2662 Å |
| b | 3.2662 Å |
| c | 3.2662 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 34.844 Å3 |
| Number of distinct elements | 3 |
| Space group number | 221 |
| Hermann-Mauguin space group symbol | P m -3 m |
| Hall space group symbol | -P 4 2 3 |
| 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. |
4343940.cif |
| 151812 | 2015-07-14 | cif/ Adding structures of 4343940 via cif-deposit CGI script. |
4343940.cif |
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Users of the data should acknowledge the original authors of the
structural data.