Materials Data on YMgTl by Materials Project

Abstract

MgYTl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to four equivalent Y atoms to form MgY4 tetrahedra that share corners with four equivalent TlY4 tetrahedra, corners with twelve equivalent MgY4 tetrahedra, and edges with six equivalent TlY4 tetrahedra. All Mg–Y bond lengths are 3.13 Å. Y is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tl atoms. All Y–Tl bond lengths are 3.13 Å. Tl is bonded to four equivalent Y atoms to form TlY4 tetrahedra that share corners with four equivalent MgY4 tetrahedra, corners with twelve equivalent TlY4 tetrahedra, and edges with six equivalent MgY4 tetrahedra.