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Information card for entry 2020268
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| Coordinates | 2020268.cif |
|---|---|
| External links | PubChem |
| Chemical name | Ba (O D) Br (D2 O)2 |
|---|---|
| Formula | Ba Br D5 O3 |
| Calculated formula | Ba Br D5 O3 |
| Title of publication | Structure determination of Ba(OD)Br.(D2O)2 by neutron powder diffraction |
| Authors of publication | Kellersohn, T.; Lutz, H.D.; Beckenkamp, K.; Jansen, E. |
| Journal of publication | Acta Crystallographica C (39,1983-) |
| Year of publication | 1991 |
| Journal volume | 47 |
| Pages of publication | 483 - 486 |
| a | 4.5567 Å |
| b | 4.5567 Å |
| c | 11.718 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 243.307 Å3 |
| Number of distinct elements | 4 |
| Space group number | 129 |
| Hermann-Mauguin space group symbol | P 4/n m m :2 |
| Hall space group symbol | -P 4a 2a |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020268.cif |
| 176429 | 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. |
2020268.cif |
| 169454 | 2015-10-21 | cif/ Adding structures of 2020268 via cif-deposit CGI script. |
2020268.cif |
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Users of the data should acknowledge the original authors of the
structural data.