Materials Data on TlCoW by Materials Project

Abstract

WCoTl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. W is bonded in a body-centered cubic geometry to four equivalent Co and four equivalent Tl atoms. All W–Co bond lengths are 2.67 Å. All W–Tl bond lengths are 2.67 Å. Co is bonded to four equivalent W and six equivalent Tl atoms to form distorted CoTl6W4 tetrahedra that share corners with four equivalent TlCo6W4 tetrahedra, corners with six equivalent CoTl6W4 tetrahedra, edges with six equivalent TlCo6W4 tetrahedra, and faces with twelve equivalent CoTl6W4 tetrahedra. All Co–Tl bond lengths are 3.09 Å. Tl is bonded to four equivalent W and six equivalent Co atoms to form distorted TlCo6W4 tetrahedra that share corners with four equivalent CoTl6W4 tetrahedra, corners with six equivalent TlCo6W4 tetrahedra, edges with six equivalent CoTl6W4 tetrahedra, and faces with twelve equivalent TlCo6W4 tetrahedra.