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DOE OSTI2020

Materials Data on LiScTl2 by Materials Project

LiScTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Li–Tl bond lengths are 3.09 Å. Sc is bonded in a distorted body-centered cubic geometry to eight equivalent Tl atoms. All Sc–Tl bond lengths are 3.09 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sc atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Li2ScTl by Materials Project

Li2ScTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Li2ScTl ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to one Sc and one Tl atom. The Li–Sc bond length is 3.39 Å. The Li–Tl bond length is 3.17 Å. Sc is bonded in a linear geometry to two equivalent Li atoms. Tl is bonded in a linear geometry to two equivalent Li atoms.

36 MATERIALS SCIENCE↗