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Information card for entry 2105135
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| Coordinates | 2105135.cif |
|---|---|
| Structure factors | 2105135.hkl |
| Original IUCr paper | HTML |
| Formula | C Cu2 O5 |
|---|---|
| Calculated formula | C Cu2 O5 |
| Title of publication | Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect |
| Authors of publication | Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | 266 - 274 |
| a | 9.1834 Å |
| b | 12.0234 Å |
| c | 3.0886 Å |
| α | 90° |
| β | 95.7294° |
| γ | 90° |
| Cell volume | 339.326 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1024 |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for significantly intense reflections | 0.0899 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 4.36 |
| Diffraction radiation wavelength | 0.414 Å |
| Diffraction radiation type | X-ray |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.