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@ARTICLE{Langer:904795,
      author       = {Langer, Eike M. and Kegler, Philip and Kowalski, Piotr M.
                      and Wang, Shuao and Alekseev, Evgeny V.},
      title        = {{A}chieving and {S}tabilizing {U}ranyl {B}ending via
                      {P}hysical {P}ressure},
      journal      = {Inorganic chemistry},
      volume       = {60},
      number       = {12},
      issn         = {0020-1669},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {FZJ-2022-00125},
      pages        = {8419 - 8422},
      year         = {2021},
      abstract     = {Applying physical pressure in the uranyl–sulfate system
                      has resulted in the formation of the first purely inorganic
                      uranyl oxo-salt phase with a considerable uranyl bend:
                      Na4[(UO2)(SO4)3]. In addition to a strong bend of the
                      typically almost linear O═U═O, the typically equatorial
                      plane is broken up by two out-of-plane oxygen positions.
                      Computational investigations show the origin of the bending
                      to lie in the applied physical pressure and not in the
                      electronic influence or steric hindrance. The increase in
                      pressure onto the system has been shown to increase uranyl
                      bending. Furthermore, the phase formation is compared with a
                      reference phase of a similar structure without uranyl
                      bending, and a transition pressure of 2.5 GPa is predicted,
                      which is well in agreement with the experimental results.},
      cin          = {PTJ-TRI / IEK-6 / IEK-13 / IEK-9},
      ddc          = {540},
      cid          = {I:(DE-Juel1)PTJ-TRI-20090406 / I:(DE-Juel1)IEK-6-20101013 /
                      I:(DE-Juel1)IEK-13-20190226 / I:(DE-Juel1)IEK-9-20110218},
      pnm          = {1221 - Fundamentals and Materials (POF4-122) / 1411 -
                      Nuclear Waste Disposal (POF4-141) / 1232 - Power-based Fuels
                      and Chemicals (POF4-123)},
      pid          = {G:(DE-HGF)POF4-1221 / G:(DE-HGF)POF4-1411 /
                      G:(DE-HGF)POF4-1232},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {34096717},
      UT           = {WOS:000664576700009},
      doi          = {10.1021/acs.inorgchem.1c00644},
      url          = {https://juser.fz-juelich.de/record/904795},
}