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.
Originalsprache | englisch |
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Seiten (von - bis) | 5943-5951 |
Seitenumfang | 9 |
Fachzeitschrift | Chemistry of Materials |
Jahrgang | 28 |
Ausgabenummer | 16 |
DOIs | |
Publikationsstatus | Veröffentlicht - 23 Aug. 2016 |
Extern publiziert | Ja |
ASJC Scopus subject areas
- Allgemeine Chemie
- Allgemeine chemische Verfahrenstechnik
- Werkstoffchemie