Materials Data on LiAgTe by Materials Project

Abstract

LiAgTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded in a body-centered cubic geometry to four equivalent Ag1+ and four equivalent Te2- atoms. All Li–Ag bond lengths are 2.77 Å. All Li–Te bond lengths are 2.77 Å. Ag1+ is bonded to four equivalent Li1+ atoms to form distorted AgLi4 tetrahedra that share corners with four equivalent TeLi4 tetrahedra, corners with twelve equivalent AgLi4 tetrahedra, and edges with six equivalent TeLi4 tetrahedra. Te2- is bonded to four equivalent Li1+ atoms to form TeLi4 tetrahedra that share corners with four equivalent AgLi4 tetrahedra, corners with twelve equivalent TeLi4 tetrahedra, and edges with six equivalent AgLi4 tetrahedra.