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Single-crystal X-ray structure analysis of the superionic conductor Li10GeP2S12
Alexander Kuhn1, Jürgen Köhler, Bettina V Lotsch
1Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart, Germany. a.kuhn@fkf.mpg.de
Physical Chemistry Chemical Physics : PCCP
|June 15, 2013
Summary
Tetragonal Lithium-10-Germanium-Phosphorus-Sulfide (LGPS) exhibits enhanced lithium-ion conductivity. Single-crystal analysis reveals an additional lithium site, suggesting less anisotropic diffusion pathways in this solid electrolyte.
Area of Science:
- Solid-state chemistry
- Materials science
- Electrochemistry
Background:
- Tetragonal Lithium-10-Germanium-Phosphorus-Sulfide (LGPS) is recognized as a leading solid lithium-ion conductor.
- Previous structural analyses relied on powder diffraction and Rietveld refinement.
Purpose of the Study:
- To perform the first single-crystal structure analysis of tetragonal LGPS.
- To investigate the impact of structural details on lithium-ion dynamics.
Main Methods:
- Single-crystal X-ray diffraction
- Rietveld refinement (for comparison)
- Structural analysis
Main Results:
- The established tetragonal LGPS structure was largely verified.
- A previously unidentified lithium position was clearly identified.
- All lithium sites were found to be partially occupied, forming interconnected diffusion pathways.
Conclusions:
- The discovery of an additional lithium site may significantly influence lithium-ion dynamics.
- Lithium diffusion in LGPS is likely less anisotropic than previously reported.
- This finding advances the understanding of superionic conductors.
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