Materials Data on HfNiSn by Materials Project

Abstract

HfNiSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Ni and four equivalent Sn atoms. All Hf–Ni bond lengths are 2.78 Å. All Hf–Sn bond lengths are 2.78 Å. Ni is bonded to four equivalent Hf atoms to form NiHf4 tetrahedra that share corners with four equivalent SnHf4 tetrahedra, corners with twelve equivalent NiHf4 tetrahedra, and edges with six equivalent SnHf4 tetrahedra. Sn is bonded to four equivalent Hf atoms to form SnHf4 tetrahedra that share corners with four equivalent NiHf4 tetrahedra, corners with twelve equivalent SnHf4 tetrahedra, and edges with six equivalent NiHf4 tetrahedra.