Fig. 2: Local structure of Zr site and formation enthalpy with respect to number of dopant species. | Nature Communications

Fig. 2: Local structure of Zr site and formation enthalpy with respect to number of dopant species.

From: Unlocking the hidden chemical space in cubic-phase garnet solid electrolyte for efficient quasi-all-solid-state lithium batteries

Fig. 2

a Local crystal structure of the Zr site with adjacent Li site for the tetragonal phase and b the cubic-phase of garnet. Li1 and Li2 sites for the cubic-phase indicate the 24d tetrahedral and 96h octahedral site, respectively. c Calculated structural parameters of average bond distortion index and bond angle variance between metal and oxygen in the Zr octahedral site as the tetragonal and cubic phase with Li7La3M2O12 composition. d Difference in formation enthalpy energy between the cubic and tetragonal phase with respect to number of dopant species.

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