Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li6La3ZrTaO12: an in situ temperature-dependence investigation (2.5 ≤ T ≤ 873 K)

Redhammer, G.J.; Meven, M.; Ganschow, S.; Tippelt, G.; Rettenwander, D.

doi:10.1107/S2052520620016145

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 4
Bond valence energy landscape map at levels of 0.1 eV (dark blue) and 0.5 eV (yellow) above the minimum. A three-dimensional network for Li ion mobility is evident. Observed Li positions coincide with calculated energy minima.

STRUCTURAL 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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