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Information card for entry 2100513
Preview
| Coordinates | 2100513.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | Al Ca2 Nb O6 |
|---|---|
| Calculated formula | Al Ca2 Nb O6 |
| Title of publication | Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry |
| Authors of publication | Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 3 |
| Pages of publication | 384 - 396 |
| a | 5.37706 ± 0.00009 Å |
| b | 5.41557 ± 0.00009 Å |
| c | 7.6255 ± 0.00013 Å |
| α | 90° |
| β | 89.97 ± 0.004° |
| γ | 90° |
| Cell volume | 222.053 ± 0.006 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| 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 | 1.22 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.5403 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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