Materials Data on Lu5SbPd2 by Materials Project

Abstract

Lu5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted LuSb2Pd3 trigonal bipyramids that share corners with four equivalent LuSb2Pd4 octahedra, corners with twelve equivalent LuSb2Pd3 trigonal bipyramids, edges with seven equivalent LuSb2Pd3 trigonal bipyramids, faces with two equivalent LuSb2Pd4 octahedra, and a faceface with one LuSb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 44–63°. There are one shorter (2.94 Å) and two longer (2.95 Å) Lu–Pd bond lengths. Both Lu–Sb bond lengths are 3.20 Å. In the second Lu site, Lu is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted LuSb2Pd4 octahedra that share corners with six equivalent LuSb2Pd4 octahedra, corners with sixteen equivalent LuSb2Pd3 trigonal bipyramids, and faces with eight equivalent LuSb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–48°. All Lu–Pd bond lengths are 2.93 Å. Both Lu–Sb bond lengths are 3.38 Å. Pd is bonded in a 8-coordinate geometry to eight Lu atoms. Sb is bonded in a 10-coordinate geometry to ten Lu atoms.