Materials Data on YbNiSb by Materials Project

Abstract

YbNiSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent Sb3- atoms to form distorted YbSb6 octahedra that share corners with six equivalent YbSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, edges with twelve equivalent YbSb6 octahedra, and faces with four equivalent NiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–Sb bond lengths are 3.19 Å. Ni1+ is bonded to four equivalent Sb3- atoms to form distorted NiSb4 tetrahedra that share corners with twelve equivalent YbSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, and faces with four equivalent YbSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ni–Sb bond lengths are 2.76 Å. Sb3- is bonded in a distorted q6 geometry to six equivalent Yb2+ and four equivalent Ni1+ atoms.