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@ARTICLE{Sohn:1005226,
author = {Sohn, Yoo Jung and Baran, V. and Gilles, R. and Roth, G.
and Vassen, Robert},
title = {{C}ombined {X}-ray and {N}eutron {P}owder {D}iffraction
{S}tudy on {B}-site {C}ation {O}rdering in {C}omplex
{P}erovskite {L}a2({A}l1/2{M}g{T}a1/2){O}6},
journal = {Solids},
volume = {4},
number = {1},
issn = {2673-6497},
address = {Basel},
publisher = {MDPI},
reportid = {FZJ-2023-01374},
pages = {87-93},
year = {2023},
abstract = {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.},
cin = {IEK-1},
ddc = {540},
cid = {I:(DE-Juel1)IEK-1-20101013},
pnm = {1241 - Gas turbines (POF4-124)},
pid = {G:(DE-HGF)POF4-1241},
typ = {PUB:(DE-HGF)16},
UT = {WOS:001114876600001},
doi = {10.3390/solids4010006},
url = {https://juser.fz-juelich.de/record/1005226},
}