Materials Data on TiNiSn by Materials Project

Abstract

TiNiSn 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 Ni and four equivalent Sn atoms. All Ti–Ni bond lengths are 2.67 Å. All Ti–Sn bond lengths are 2.67 Å. Ni is bonded to four equivalent Ti atoms to form distorted NiTi4 tetrahedra that share corners with four equivalent SnTi4 tetrahedra, corners with twelve equivalent NiTi4 tetrahedra, and edges with six equivalent SnTi4 tetrahedra. Sn is bonded to four equivalent Ti atoms to form distorted SnTi4 tetrahedra that share corners with four equivalent NiTi4 tetrahedra, corners with twelve equivalent SnTi4 tetrahedra, and edges with six equivalent NiTi4 tetrahedra.