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Information card for entry 2103774
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| Coordinates | 2103774.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | deuterated barium hydroxide |
|---|---|
| Formula | Ba D2 O2 |
| Calculated formula | Ba D2 O2 |
| Title of publication | Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase |
| Authors of publication | Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 6 |
| Pages of publication | 747 - 758 |
| a | 9.4881 ± 0.0002 Å |
| b | 7.95273 ± 0.00019 Å |
| c | 6.79846 ± 0.00017 Å |
| α | 90° |
| β | 95.9117 ± 0.0013° |
| γ | 90° |
| Cell volume | 510.26 ± 0.02 Å3 |
| Cell temperature | 480 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Goodness-of-fit parameter for all reflections | 1.3 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.59432 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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