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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},
}