Materials Data on TlCoBi by Materials Project

Abstract

CoTlBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Co is bonded to six equivalent Tl and four equivalent Bi atoms to form distorted CoTl6Bi4 tetrahedra that share corners with four equivalent TlCo6Bi4 tetrahedra, corners with six equivalent CoTl6Bi4 tetrahedra, edges with six equivalent TlCo6Bi4 tetrahedra, and faces with twelve equivalent CoTl6Bi4 tetrahedra. All Co–Tl bond lengths are 3.47 Å. All Co–Bi bond lengths are 3.01 Å. Tl is bonded to six equivalent Co and four equivalent Bi atoms to form distorted TlCo6Bi4 tetrahedra that share corners with four equivalent CoTl6Bi4 tetrahedra, corners with six equivalent TlCo6Bi4 tetrahedra, edges with six equivalent CoTl6Bi4 tetrahedra, and faces with twelve equivalent TlCo6Bi4 tetrahedra. All Tl–Bi bond lengths are 3.01 Å. Bi is bonded in a body-centered cubic geometry to four equivalent Co and four equivalent Tl atoms.