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DOE OSTI2020

Materials Data on LiZrPt2 by Materials Project

LiZrPt2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Li–Pt bond lengths are 2.79 Å. Zr3+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Zr–Pt bond lengths are 2.79 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Zr3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LiZr2Pt by Materials Project

LiZr2Pt crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiZr2Pt ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Zr atoms. Both Li–Zr bond lengths are 3.12 Å. Zr is bonded in a linear geometry to one Li and one Pt atom. The Zr–Pt bond length is 2.35 Å. Pt is bonded in a linear geometry to two equivalent Zr atoms.

36 MATERIALS SCIENCE↗