Materials Data on Ho5SbPd2 by Materials Project

Abstract

Ho5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted HoSb2Pd4 octahedra that share corners with six equivalent HoSb2Pd4 octahedra, corners with sixteen equivalent HoSb2Pd3 trigonal bipyramids, and faces with eight equivalent HoSb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Ho–Pd bond lengths are 3.00 Å. Both Ho–Sb bond lengths are 3.41 Å. In the second Ho site, Ho is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted HoSb2Pd3 trigonal bipyramids that share corners with four equivalent HoSb2Pd4 octahedra, corners with twelve equivalent HoSb2Pd3 trigonal bipyramids, edges with seven equivalent HoSb2Pd3 trigonal bipyramids, faces with two equivalent HoSb2Pd4 octahedra, and a faceface with one HoSb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–63°. There are one shorter (2.97 Å) and two longer (2.99 Å) Ho–Pd bond lengths. Both Ho–Sb bond lengths are 3.26 Å. Pd is bonded in a 8-coordinate geometry to eight Ho atoms. Sb is bonded in a distorted q6 geometry to ten Ho atoms.