Materials Data on LiZrSc by Materials Project
LiScZr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to six equivalent Sc and four equivalent Zr atoms. All Li–Sc bond lengths are 3.40 Å. All Li–Zr bond lengths are 2.95 Å. Sc is bonded in a distorted q6 geometry to six equivalent Li and four equivalent Zr atoms. All Sc–Zr bond lengths are 2.95 Å. Zr is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sc atoms.
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