Materials Data on TiBiRh by Materials Project

Abstract

TiRhBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Rh and four equivalent Bi atoms. All Ti–Rh bond lengths are 2.75 Å. All Ti–Bi bond lengths are 2.75 Å. Rh is bonded to four equivalent Ti and six equivalent Bi atoms to form distorted RhTi4Bi6 tetrahedra that share corners with four equivalent BiTi4Rh6 tetrahedra, corners with six equivalent RhTi4Bi6 tetrahedra, edges with six equivalent BiTi4Rh6 tetrahedra, and faces with twelve equivalent RhTi4Bi6 tetrahedra. All Rh–Bi bond lengths are 3.17 Å. Bi is bonded to four equivalent Ti and six equivalent Rh atoms to form distorted BiTi4Rh6 tetrahedra that share corners with four equivalent RhTi4Bi6 tetrahedra, corners with six equivalent BiTi4Rh6 tetrahedra, edges with six equivalent RhTi4Bi6 tetrahedra, and faces with twelve equivalent BiTi4Rh6 tetrahedra.