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| Home > Publications database > Combined X-ray and Neutron Powder Diffraction Study on B-site Cation Ordering in Complex Perovskite La2(Al1/2MgTa1/2)O6 > print |
| Home > Publications database > Combined X-ray and Neutron Powder Diffraction Study on B-site Cation Ordering in Complex Perovskite La2(Al1/2MgTa1/2)O6 > print |
| 001 | 1005226 | ||
| 005 | 20240711085600.0 | ||
| 024 | 7 | _ | |a 10.3390/solids4010006 |2 doi |
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| 037 | _ | _ | |a FZJ-2023-01374 |
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| 100 | 1 | _ | |a Sohn, Yoo Jung |0 P:(DE-Juel1)159368 |b 0 |e Corresponding author |
| 245 | _ | _ | |a Combined X-ray and Neutron Powder Diffraction Study on B-site Cation Ordering in Complex Perovskite La2(Al1/2MgTa1/2)O6 |
| 260 | _ | _ | |a Basel |c 2023 |b MDPI |
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| 520 | _ | _ | |a Complex perovskite La2(Al1/2MgTa1/2)O6 (LAMT) crystallizes in a monoclinic unit cell with space group P21/n at room temperature. Its B-site cations are ordered in a rock-salt-type arrangement. Previously, the full occupancy of Mg on the 2c-Wyckoff position was deduced from powder X-ray diffraction (PXRD). However, conventional X-rays could not properly resolve the mixed occupation on the B-site, since there is little scattering contrast between the neighbouring elements Mg and Al of the periodic table. Hence, complementary neutron diffraction studies were carried out to verify the exact B-site cation ordering in the unit cell. In this specific configuration of the B-cations, with its occupancy ratio and the presence of a heavy element Ta as well as neighbouring elements Mg and Al, only the strategy of a combined Rietveld analysis using both the X-ray and neutron diffraction data simultaneously succeeded in elucidating an accurate B-site cation ordering in this complex perovskite system. A full occupancy of Mg on the 2c-Wyckoff position and each a half occupancy of Al and Ta on the 2d-Wyckoff position could be resolved for the rock-salt-type ordering of the B-site cations in the monoclinic unit cell of LAMT. |
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| 700 | 1 | _ | |a Vassen, Robert |0 P:(DE-Juel1)129670 |b 4 |
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