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Figure 3
Negative residual nuclear density (light bluish green) of LLZTO at 300 K, obtained from refining the framework La, Zr/Ta and O atom positions, for (a) the full unit cell and (b) a small section of the cell. The spheres depict the refined Li atomic positions using; (b) the standard model, (c) the model with anisotropic refinement of Li1 at 24d with atomic displacement parameters, drawn at the 95% level, and (d) the model with Li1 shifted to a 96h position and isotropic refinement.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 77| Part 1| February 2021| Pages 123-130
https://doi.org/10.1107/S2052520620016145
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