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Information card for entry 2104173
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| Coordinates | 2104173.cif |
|---|---|
| Structure factors | 2104173.hkl |
| Original IUCr paper | HTML |
| Formula | Al2 Ca2 O5 |
|---|---|
| Calculated formula | Al2 Ca2 O5 |
| Title of publication | Incommensurate structure of Ca~2~Al~2~O~5~ at high temperatures ‒ structure investigation and Raman spectroscopy |
| Authors of publication | Lazic, Biljana; Krüger, Hannes; Kahlenberg, Volker; Konzett, Jürgen; Kaindl, Reinhard |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2008 |
| Journal volume | 64 |
| Journal issue | 4 |
| Pages of publication | 417 - 425 |
| a | 5.2699 ± 0.0005 Å |
| b | 14.6984 ± 0.0015 Å |
| c | 5.4196 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 419.8 ± 0.07 Å3 |
| Cell temperature | 1090 ± 10 K |
| Ambient diffraction temperature | 1090 ± 10 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin space group symbol | Imma(00\g)s00 |
| Residual factor for all reflections | 0.0695 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.0659 |
| Weighted residual factors for all reflections included in the refinement | 0.0677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.52 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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.