Materials Data on Ho5(GeSb)2 by Materials Project

Abstract

Ho5(GeSb)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to three equivalent Ge and three equivalent Sb atoms to form distorted HoGe3Sb3 pentagonal pyramids that share corners with three equivalent HoGe4Sb2 octahedra, corners with ten equivalent HoGe3Sb3 pentagonal pyramids, edges with seven equivalent HoGe3Sb3 pentagonal pyramids, faces with two equivalent HoGe4Sb2 octahedra, and faces with two equivalent HoGe3Sb3 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 36–42°. There are a spread of Ho–Ge bond distances ranging from 2.93–3.08 Å. There are a spread of Ho–Sb bond distances ranging from 3.12–3.18 Å. In the second Ho site, Ho is bonded to four equivalent Ge and two equivalent Sb atoms to form HoGe4Sb2 octahedra that share corners with four equivalent HoGe4Sb2 octahedra, corners with twelve equivalent HoGe3Sb3 pentagonal pyramids, and faces with eight equivalent HoGe3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 48°. There are two shorter (3.05 Å) and two longer (3.07 Å) Ho–Ge bond lengths. Both Ho–Sb bond lengths are 3.09 Å. Ge is bonded in a 8-coordinate geometry to eight Ho atoms. Sb is bonded to seven Ho atoms to form a mixture of distorted edge and corner-sharing SbHo7 pentagonal bipyramids.