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| Home > Publications database > Polymorphism in $K_3SbS_4$ and the Role of Tungsten Substitution on Structure and Potassium-Ion Conductivity |
| Home > Publications database > Polymorphism in $K_3SbS_4$ and the Role of Tungsten Substitution on Structure and Potassium-Ion Conductivity |
| Journal Article | FZJ-2026-04023 |
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2026
ACS Publications
Washington, DC
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Please use a persistent id in citations: doi:10.1021/acsaem.6c01758 doi:10.34734/FZJ-2026-04023
Abstract: This work revisits the $K^+$-ion-conducting $K_{3–x}Sb_{1–x}W_xS4$ (0 ≤ x ≤ 0.10) system and finds a more complex structural scenario than previously reported. $K_3SbS_4$ does not only crystallize in the reported $Cmc2_1$ space group but also in a structure best described in the $R3c$ space group. Both polymorphs are present at room temperature, whereas variable-temperature synchrotron X-ray diffraction shows that only the $R3c$ phase persists at elevated temperatures. Similarly, the substitution of Sb(+V) with W(+VI) stabilizes the high-temperature $R3c$ polymorph. $K_3SbS_4$ further shows similar diffusion pathways for both polymorphs. It matches the measured transport properties dominated by W(+VI) substitution, increasing ionic conductivity up to 0.64 $mS·cm^{–1}$ at 298 K for nominal $K_{2.92}Sb_{0.92}W_{0.08}S_4$ with an activation energy of 0.29 eV. This work emphasizes the need for a complementary understanding of atomic arrangement and microstructure in potassium-ion conductors.
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