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

Research output: Contribution to journalArticleResearchpeer-review

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

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Garnets
Ions
Oxides
Single crystals
X ray diffraction
Neutron powder diffraction
Electrochemical impedance spectroscopy
X ray powder diffraction
Electrolytes
Crystal structure
Spectroscopy
Crystals
Temperature

ASJC Scopus subject areas

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

Cite this

Fast Li-Ion-Conducting Garnet-Related Li7-3xFexLa3Zr2O12 with Uncommon I4-3d Structure. / Wagner, Reinhard; Redhammer, Günther J.; Rettenwander, Daniel; Tippelt, Gerold; Welzl, Andreas; Taibl, Stefanie; Fleig, Jürgen; Franz, Alexandra; Lottermoser, Werner; Amthauer, Georg.

In: Chemistry of Materials, Vol. 28, No. 16, 23.08.2016, p. 5943-5951.

Research output: Contribution to journalArticleResearchpeer-review

Wagner, R, Redhammer, GJ, Rettenwander, D, Tippelt, G, Welzl, A, Taibl, S, Fleig, J, Franz, A, Lottermoser, W & Amthauer, G 2016, 'Fast Li-Ion-Conducting Garnet-Related Li7-3xFexLa3Zr2O12 with Uncommon I4-3d Structure' Chemistry of Materials, vol. 28, no. 16, pp. 5943-5951. https://doi.org/10.1021/acs.chemmater.6b02516
Wagner, Reinhard ; Redhammer, Günther J. ; Rettenwander, Daniel ; Tippelt, Gerold ; Welzl, Andreas ; Taibl, Stefanie ; Fleig, Jürgen ; Franz, Alexandra ; Lottermoser, Werner ; Amthauer, Georg. / Fast Li-Ion-Conducting Garnet-Related Li7-3xFexLa3Zr2O12 with Uncommon I4-3d Structure. In: Chemistry of Materials. 2016 ; Vol. 28, No. 16. pp. 5943-5951.
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