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DOE OSTI2020

Materials Data on LiZrIr2 by Materials Project

LiZrIr2 is Heusler structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. There are two shorter (2.72 Å) and six longer (2.73 Å) Li–Ir bond lengths. Zr is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. There are two shorter (2.72 Å) and six longer (2.73 Å) Zr–Ir bond lengths. Ir is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Zr atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LiZr2Ir by Materials Project

LiZr2Ir is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Zr and six equivalent Ir atoms. All Li–Zr bond lengths are 2.87 Å. All Li–Ir bond lengths are 3.31 Å. Zr is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Zr–Ir bond lengths are 2.87 Å. Ir is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Zr atoms.

36 MATERIALS SCIENCE↗