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Information card for entry 2106431
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| Coordinates | 2106431.cif |
|---|
| Formula | O2 |
|---|---|
| Calculated formula | O2 |
| SMILES | O=O |
| Title of publication | Structure of O2 at 5*5 GPa and 299 K |
| Authors of publication | Schiferl, D.; Cromer, D.T.; Mills, R.L. |
| Journal of publication | Acta Crystallographica B (24,1968-38,1982) |
| Year of publication | 1981 |
| Journal volume | 37 |
| Pages of publication | 1329 - 1332 |
| a | 2.8467 Å |
| b | 2.8467 Å |
| c | 10.2249 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 71.758 Å3 |
| Number of distinct elements | 1 |
| Space group number | 166 |
| Hermann-Mauguin space group symbol | R -3 m :H |
| Hall space group symbol | -R 3 2" |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211196 (current) | 2018-09-27 | cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries. |
2106431.cif |
| 149890 | 2015-07-13 | cif/ Adding structures of 2106431 via cif-deposit CGI script. |
2106431.cif |
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Users of the data should acknowledge the original authors of the
structural data.