Deep hydration of an Li7–3xLa3Zr2MIIIxO12 solid-state electrolyte material: a case study on Al- and Ga-stabilized LLZO

Redhammer, G.J.; Tippelt, G.; Rettenwander, D.

doi:10.1107/S2053229621012250

Acta Crystallographica Section C
Acta Crystallographica
Section C STRUCTURAL CHEMISTRY

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Figure 3
Polyhedral representations of part of the crystal structure of Ga-stabilized LLZO (space group I $[\overline{4}]$ 3d) in the (a) pristine and (b) hydrothermally altered state viewed on the (12, $[\overline 6]$ ,3) plane. LaO₈ sites are in light blue, ZrO₆ octahedra in green and Li1, Li2 and Li3 sites in orange, yellow and grey, respectively. The dashed grey bonds around the Li3 site are the two most distant. [Symmetry codes: (i) −z + $[{3\over 4}]$ , −y + $[{1\over 4}]$ , x − $[{3\over 4}]$ ; (ii) −z + 1, −x + $[{1\over 2}]$ , y; (iii) −x + 1, −y + $[{1\over 2}]$ , z; (iv) −x + $[{1\over 2}]$ , y, −z; (v) −x + $[{1\over 2}]$ , −y, z + $[{1\over 2}]$ ; (vi) −z + $[{3\over 4}]$ , −y + $[{1\over 4}]$ , x + $[{1\over 4}]$ .]

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

Volume 78| Part 1| January 2022| Pages 1-6

https://doi.org/10.1107/S2053229621012250

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