Abstract

The Ga-doped Li7La3Zr2O12 (LLZO) Solid State Electrolyte (SSE) has been looked into with the help of X-ray diffraction and its structure has been successfully refined by the Rietveld method. The SSE crystallizes in the Li6.25Ga0.15La2.90Zr2O12 phase with cubic space group number 220 and unit cell parameter 13.02081 Å, and La2Zr2O7 phase with cubic space group number 227 and unit cell parameter 10.79475 Å. With 113 total reflections, the structural parameters of both the phases conversed to Rp = 13.5, Rexp = 14.16, Rwp = 18.5 and the goodness of fit i.e., χ2 was obtained as 1.74. The core of the Li-ion migration channel has been defined as the loop formed by the Li32, Li1, Li2, and Li22 sites with minimal Li...Li distance and occupational disordering of the Ga-doped LLZO SSE. The electron density plots of Li6.25Ga0.15La2.90Zr2O12 phase has shown maximum distribution of electrons inside the unit cell for lanthanum atoms. XPS confirmed the presence of all the precursors in the synthesized compound. Figure 1

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