Fast Li-Ion-Conducting Garnet-Related Li7-3xFexLa3Zr2O12 with Uncommon I4-3d Structure

Reinhard Wagner*, Günther J. Redhammer, Daniel Rettenwander, Gerold Tippelt, Andreas Welzl, Stefanie Taibl, Jürgen Fleig, Alexandra Franz, Werner Lottermoser, Georg Amthauer

*Corresponding author for this work

Research output: Contribution to journalArticle

Abstract

Fast Li-ion-conducting Li oxide garnets receive a great deal of attention as they are suitable candidates for solid-state Li electrolytes. It was recently shown that Ga-stabilized Li7La3Zr2O12 crystallizes in the acentric cubic space group I4-3d. This structure can be derived by a symmetry reduction of the garnet-type Ia3-d structure, which is the most commonly found space group of Li oxide garnets and garnets in general. In this study, single-crystal X-ray diffraction confirms the presence of space group I4-3d also for Li7-3xFexLa3Zr2O12. The crystal structure was characterized by X-ray powder diffraction, single-crystal X-ray diffraction, neutron powder diffraction, and Mößbauer spectroscopy. The crystal-chemical behavior of Fe3+ in Li7La3Zr2O12 is very similar to that of Ga3+. The symmetry reduction seems to be initiated by the ordering of Fe3+ onto the tetrahedral Li1 (12a) site of space group I4-3d. Electrochemical impedance spectroscopy measurements showed a Li-ion bulk conductivity of up to 1.38 × 10-3 S cm-1 at room temperature, which is among the highest values reported for this group of materials.

Original languageEnglish
Pages (from-to)5943-5951
Number of pages9
JournalChemistry of Materials
Volume28
Issue number16
DOIs
Publication statusPublished - 23 Aug 2016
Externally publishedYes

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

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