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@ARTICLE{OQuinn:837289,
      author       = {O’Quinn, Eric C. and Shamblin, Jacob and Perlov, Brandon
                      and Ewing, Rodney C. and Neuefeind, Joerg and Feygenson,
                      Mikhail and Gussev, Igor and Lang, Maik},
      title        = {{I}nversion in {M}g 1– x {N}i x {A}l 2 {O} 4 {S}pinel:
                      {N}ew {I}nsight into {L}ocal {S}tructure},
      journal      = {Journal of the American Chemical Society},
      volume       = {139},
      number       = {30},
      issn         = {1520-5126},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {FZJ-2017-06258},
      pages        = {10395 - 10402},
      year         = {2017},
      abstract     = {A wide variety of compositions adopt the isometric spinel
                      structure (AB2O4), in which the atomic-scale ordering is
                      conventionally described according to only three structural
                      degrees of freedom. One, the inversion parameter, is
                      traditionally defined as the degree of cation exchange
                      between the A- and B-sites. This exchange, a measure of
                      intrinsic disorder, is fundamental to understanding the
                      variation in the physical properties of different spinel
                      compositions. Based on neutron total scattering experiments,
                      we have determined that the local structure of
                      Mg1–xNixAl2O4 spinel cannot be understood as simply being
                      due to cation disorder. Rather, cation inversion creates a
                      local tetragonal symmetry that extends over sub-nanometer
                      domains. Consequently, the simple spinel structure is more
                      complicated than previously thought, as more than three
                      parameters are needed to fully describe the structure. This
                      new insight provides a framework by which the behavior of
                      spinel can be more accurately modeled under the extreme
                      environments important for many geophysics and
                      energy-related applications, including prediction of deep
                      seismic activity and immobilization of nuclear waste in
                      oxides.},
      cin          = {ICS-1 / Neutronenstreuung ; JCNS-1 / JCNS-ESS},
      ddc          = {540},
      cid          = {I:(DE-Juel1)ICS-1-20110106 / I:(DE-Juel1)JCNS-1-20110106 /
                      I:(DE-Juel1)JCNS-ESS-20170404},
      pnm          = {551 - Functional Macromolecules and Complexes (POF3-551) /
                      6G4 - Jülich Centre for Neutron Research (JCNS) (POF3-623)
                      / 6215 - Soft Matter, Health and Life Sciences (POF3-621)},
      pid          = {G:(DE-HGF)POF3-551 / G:(DE-HGF)POF3-6G4 /
                      G:(DE-HGF)POF3-6215},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000407089500033},
      pubmed       = {pmid:28683545},
      doi          = {10.1021/jacs.7b04370},
      url          = {https://juser.fz-juelich.de/record/837289},
}