Materials Data on VSiRh by Materials Project

Abstract

VRhSi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. V is bonded to four equivalent Rh and six equivalent Si atoms to form distorted VSi6Rh4 tetrahedra that share corners with four equivalent SiV6Rh4 tetrahedra, corners with six equivalent VSi6Rh4 tetrahedra, edges with six equivalent SiV6Rh4 tetrahedra, and faces with twelve equivalent VSi6Rh4 tetrahedra. All V–Rh bond lengths are 2.48 Å. All V–Si bond lengths are 2.86 Å. Rh is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Si atoms. All Rh–Si bond lengths are 2.48 Å. Si is bonded to six equivalent V and four equivalent Rh atoms to form distorted SiV6Rh4 tetrahedra that share corners with four equivalent VSi6Rh4 tetrahedra, corners with six equivalent SiV6Rh4 tetrahedra, edges with six equivalent VSi6Rh4 tetrahedra, and faces with twelve equivalent SiV6Rh4 tetrahedra.