%0 Journal Article
%A Rosenbach, Carolin
%A Helm, Bianca
%A Suard, Emmanuelle
%A Lotsch, Bettina V.
%A Bette, Sebastian
%A Zeier, Wolfgang G.
%T Assessing the Impact of $Li^+$ Concentration and Stacking Faults in the Aliovalent-Substituted Ionic Conductor $Li_3ScCl_6$
%J Inorganic chemistry
%V 64
%N 25
%@ 0020-1669
%C Washington, DC
%I American Chemical Society
%M FZJ-2025-02910
%P 12698-12707
%D 2025
%X 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.
%F PUB:(DE-HGF)16
%9 Journal Article
%$ 40506260
%U <Go to ISI:>//WOS:001508746800001
%R 10.1021/acs.inorgchem.5c01371
%U https://juser.fz-juelich.de/record/1043534