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@ARTICLE{Maus:1007410,
      author       = {Maus, Oliver and Agne, Matthias T. and Fuchs, Till and
                      Till, Paul S. and Wankmiller, Björn and Gerdes, Josef
                      Maximilian and Sharma, Rituraj and Heere, Michael and
                      Jalarvo, Niina and Yaffe, Omer and Hansen, Michael Ryan and
                      Zeier, Wolfgang G.},
      title        = {{O}n the {D}iscrepancy between {L}ocal and {A}verage
                      {S}tructure in the {F}ast ${N}a^+$ {I}onic {C}onductor
                      ${N}a_{2.9}{S}b_{0.9}{W}_{0.1}{S}_{4}$},
      journal      = {Journal of the American Chemical Society},
      volume       = {145},
      number       = {13},
      issn         = {0002-7863},
      address      = {Washington, DC},
      publisher    = {ACS Publications},
      reportid     = {FZJ-2023-02065},
      pages        = {7147 - 7158},
      year         = {2023},
      abstract     = {Aliovalent substitution is a common strategy to improve the
                      ionic conductivity of solid electrolytes for solid-state
                      batteries. The substitution of SbS43– by WS42– in
                      Na2.9Sb0.9W0.1S4 leads to a very high ionic conductivity of
                      41 mS cm–1 at room temperature. While pristine Na3SbS4
                      crystallizes in a tetragonal structure, the substituted
                      Na2.9Sb0.9W0.1S4 crystallizes in a cubic phase at room
                      temperature based on its X-ray diffractogram. Here, we show
                      by performing pair distribution function analyses and static
                      single-pulse 121Sb NMR experiments that the short-range
                      order of Na2.9Sb0.9W0.1S4 remains tetragonal despite the
                      change in the Bragg diffraction pattern.
                      Temperature-dependent Raman spectroscopy revealed that
                      changed lattice dynamics due to the increased disorder in
                      the Na+ substructure leads to dynamic sampling causing the
                      discrepancy in local and average structure. While showing no
                      differences in the local structure, compared to pristine
                      Na3SbS4, quasi-elastic neutron scattering and solid-state
                      23Na nuclear magnetic resonance measurements revealed
                      drastically improved Na+ diffusivity and decreased
                      activation energies for Na2.9Sb0.9W0.1S4. The obtained
                      diffusion coefficients are in very good agreement with
                      theoretical values and long-range transport measured by
                      impedance spectroscopy. This work demonstrates the
                      importance of studying the local structure of ionic
                      conductors to fully understand their transport mechanisms, a
                      prerequisite for the development of faster ionic
                      conductors.},
      cin          = {IEK-12},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-12-20141217},
      pnm          = {1221 - Fundamentals and Materials (POF4-122)},
      pid          = {G:(DE-HGF)POF4-1221},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {36946557},
      UT           = {WOS:000967981500001},
      doi          = {10.1021/jacs.2c11803},
      url          = {https://juser.fz-juelich.de/record/1007410},
}