Materials Data on ThNiSn by Materials Project

Abstract

ThNiSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to four equivalent Ni and four equivalent Sn atoms. All Th–Ni bond lengths are 3.04 Å. All Th–Sn bond lengths are 3.04 Å. Ni is bonded to four equivalent Th atoms to form NiTh4 tetrahedra that share corners with four equivalent SnTh4 tetrahedra, corners with twelve equivalent NiTh4 tetrahedra, and edges with six equivalent SnTh4 tetrahedra. Sn is bonded to four equivalent Th atoms to form SnTh4 tetrahedra that share corners with four equivalent NiTh4 tetrahedra, corners with twelve equivalent SnTh4 tetrahedra, and edges with six equivalent NiTh4 tetrahedra.