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@ARTICLE{Rosenbach:1043534,
      author       = {Rosenbach, Carolin and Helm, Bianca and Suard, Emmanuelle
                      and Lotsch, Bettina V. and Bette, Sebastian and Zeier,
                      Wolfgang G.},
      title        = {{A}ssessing the {I}mpact of ${L}i^+$ {C}oncentration and
                      {S}tacking {F}aults in the {A}liovalent-{S}ubstituted
                      {I}onic {C}onductor ${L}i_3{S}c{C}l_6$},
      journal      = {Inorganic chemistry},
      volume       = {64},
      number       = {25},
      issn         = {0020-1669},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {FZJ-2025-02910},
      pages        = {12698-12707},
      year         = {2025},
      abstract     = {Halide electrolytes have gained interest due to their
                      decent conductivities in the $mS·cm^{–1}$ range and wide
                      electrochemical stability windows. The ionic transport can
                      be influenced by changing the $Li^+$ concentration in the
                      structure. Due to the high cost of the rare-earth elements
                      in the halide electrolytes, the substitution of lower-cost
                      elements is favored. Based on the idea of changing the
                      $Li^+$ concentration and substituting with low-cost
                      elements, the two substitution series
                      $Li_{3–x}Sc_{1–x}Zr_xCl_6$ and
                      $Li_{3–x}Sc_{1–x}Mg_xCl_6$ (0 ≤ $x$ ≤ 0.3) are
                      investigated in this work. Structural information was
                      obtained by X-ray and neutron diffraction and combined with
                      transport properties obtained by impedance spectroscopy. Two
                      main transport influencing factors were found: The $Li^+$
                      concentration and the c/a lattice parameter. The occupation
                      of the $Li^+$-only layers seems to affect the lattice
                      parameter in the c-direction. However, the structural
                      refinement was not straightforward as stacking faults appear
                      in layered halide materials that complicate the refinements,
                      and the substitution with $Mg^{2+}$ seems to influence the
                      extent of stacking fault formation. Overall, this work
                      highlights the need to consider several factors in halide
                      materials to correlate the structure–transport processes.},
      cin          = {IMD-4},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IMD-4-20141217},
      pnm          = {1221 - Fundamentals and Materials (POF4-122)},
      pid          = {G:(DE-HGF)POF4-1221},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {40506260},
      UT           = {WOS:001508746800001},
      doi          = {10.1021/acs.inorgchem.5c01371},
      url          = {https://juser.fz-juelich.de/record/1043534},
}