Materials Data on ScTlCd by Materials Project

Abstract

ScCdTl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Tl atoms. All Sc–Cd bond lengths are 2.98 Å. All Sc–Tl bond lengths are 2.98 Å. Cd is bonded to four equivalent Sc atoms to form distorted CdSc4 tetrahedra that share corners with four equivalent TlSc4 tetrahedra, corners with twelve equivalent CdSc4 tetrahedra, and edges with six equivalent TlSc4 tetrahedra. Tl is bonded to four equivalent Sc atoms to form distorted TlSc4 tetrahedra that share corners with four equivalent CdSc4 tetrahedra, corners with twelve equivalent TlSc4 tetrahedra, and edges with six equivalent CdSc4 tetrahedra.