Sn Substitution in the Lithium Superionic Argyrodite Li6PCh5I (Ch = S and Se)

Ajay Gautam, Michael Ghidiu, Anna Lena Hansen, Saneyuki Ohno, Wolfgang G. Zeier

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)


The lithium argyrodites Li6PS5X (X = Cl, Br, and I) have attracted interest as fast solid ionic conductors for solid-state batteries. Within this class of materials, it has been previously suggested that more polarizable anions and larger substituents should influence the ionic conductivity (e.g., substituting S by Se). Building upon this work, we explore the influence of Sn substitution in lithium argyrodites Li6+xSnxP1–xSe5I in direct comparison to the previously reported Li6+xSnxP1–xS5I series. The (P5+/Sn4+)Se43/4– polyhedral volume, unit cell volume, and lithium coordination tetrahedra Li(48h)-(S/Se)3-I increase with Sn substitution in this new selenide series. Impedance spectroscopy reveals that increasing Sn4+ substitution results in a fivefold improvement in the ionic conductivity when compared to Li6PSe5I. This work provides further understanding of compositional influences for optimizing the ionic conductivity of solid electrolytes.

Original languageEnglish
Pages (from-to)18975-18980
Number of pages6
JournalInorganic chemistry
Issue number24
Publication statusPublished - Dec 20 2021

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry


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