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@ARTICLE{Murphy:817927,
author = {Murphy, Gabriel L. and Kennedy, Brendan J. and Kimpton,
Justin A. and Gu, Qinfen and Johannessen, Bernt and Beridze,
George and Kowalski, Piotr and Bosbach, Dirk and Avdeev,
Maxim and Zhang, Zhaoming},
title = {{N}onstoichiometry in {S}trontium {U}ranium {O}xide:
{U}nderstanding the {R}hombohedral–{O}rthorhombic
{T}ransition in {S}r{UO}$_{4}$},
journal = {Inorganic chemistry},
volume = {55},
number = {18},
issn = {1520-510X},
address = {Washington, DC},
publisher = {American Chemical Society},
reportid = {FZJ-2016-04519},
pages = {9329–9334},
year = {2016},
abstract = {In situ neutron and synchrotron X-ray diffraction studies
demonstrate that SrUO4 acts as an oxygen transfer agent,
forming oxygen vacancies under both oxidizing and reducing
conditions. Two polymorphs of SrUO4 are stable at room
temperature, and the transformation between these is
observed to be associated with thermally regulated diffusion
of oxygen ions, with partial reduction of the U6+ playing a
role in both the formation of oxygen deficient α-SrUO4−δ
and its subsequent transformation to stoichiometric
β-SrUO4. This is supported by ab initio calculations using
density functional theory calculations. The oxygen vacancies
play a critical role in the first order transition that
SrUO4 undergoes near 830 °C. The changes in the oxidation
states and U geometry associated with the structural phase
transition have been characterized using X-ray absorption
spectroscopy, synchrotron X-ray diffraction, and neutron
diffraction.},
cin = {IEK-6 / JARA-HPC},
ddc = {540},
cid = {I:(DE-Juel1)IEK-6-20101013 / $I:(DE-82)080012_20140620$},
pnm = {161 - Nuclear Waste Management (POF3-161) / Investigation
of the new materials for safe management of high level
nuclear waste. $(jiek61_20131101)$ / Investigation of the
new materials for safe management of high level nuclear
waste. $(jara0038_20121101)$ / Towards controlled QCD
transport coefficients $(jara0039_20121101)$ / HITEC -
Helmholtz Interdisciplinary Doctoral Training in Energy and
Climate Research (HITEC) (HITEC-20170406)},
pid = {G:(DE-HGF)POF3-161 / $G:(DE-Juel1)jiek61_20131101$ /
$G:(DE-Juel1)jara0038_20121101$ /
$G:(DE-Juel1)jara0039_20121101$ /
G:(DE-Juel1)HITEC-20170406},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000383733100025},
pubmed = {pmid:27571285},
doi = {10.1021/acs.inorgchem.6b01391},
url = {https://juser.fz-juelich.de/record/817927},
}