Materials Data on TiSbRh by Materials Project

Abstract

TiRhSb 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 Sb atoms. All Ti–Rh bond lengths are 2.69 Å. All Ti–Sb bond lengths are 2.69 Å. Rh is bonded to four equivalent Ti and six equivalent Sb atoms to form distorted RhTi4Sb6 tetrahedra that share corners with four equivalent SbTi4Rh6 tetrahedra, corners with six equivalent RhTi4Sb6 tetrahedra, edges with six equivalent SbTi4Rh6 tetrahedra, and faces with twelve equivalent RhTi4Sb6 tetrahedra. All Rh–Sb bond lengths are 3.11 Å. Sb is bonded to four equivalent Ti and six equivalent Rh atoms to form distorted SbTi4Rh6 tetrahedra that share corners with four equivalent RhTi4Sb6 tetrahedra, corners with six equivalent SbTi4Rh6 tetrahedra, edges with six equivalent RhTi4Sb6 tetrahedra, and faces with twelve equivalent SbTi4Rh6 tetrahedra.