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Information card for entry 4100021
Preview
| Coordinates | 4100021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba0.81 Ca0.78 Fe2.5 Nd0.91 O6.43 |
|---|---|
| Calculated formula | Ba0.8116 Ca0.77905 Fe2.5 Nd0.90915 O6.43 |
| Title of publication | Modular Construction of Oxide Structuresî—¸Compositional Control of Transition Metal Coordination Environments |
| Authors of publication | Tenailleau, Christophe; Allix, Mathieu; Claridge, John B.; Hervieu, Maryvonne; Thomas, Michael F.; Hirst, James P.; Rosseinsky, Matthew J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Journal issue | 24 |
| Pages of publication | 7570 - 7583 |
| a | 5.58392 ± 0.00017 Å |
| b | 38.9909 ± 0.0011 Å |
| c | 5.61065 ± 0.00018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1221.56 ± 0.06 Å3 |
| Number of distinct elements | 5 |
| Space group number | 74 |
| Hermann-Mauguin space group symbol | I m m a |
| Hall space group symbol | -I 2b 2 |
| RFsqd | 0.09473 |
| Goodness-of-fit parameter for all reflections | 3.23 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.59432 Å |
| 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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