Materials Data on Ho5NiSb2 by Materials Project

Abstract

Ho5NiSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 5-coordinate geometry to two equivalent Ni and three equivalent Sb atoms. There are one shorter (2.76 Å) and one longer (2.93 Å) Ho–Ni bond lengths. There are a spread of Ho–Sb bond distances ranging from 3.28–3.49 Å. In the second Ho site, Ho is bonded to one Ni and four equivalent Sb atoms to form a mixture of distorted edge and corner-sharing HoNiSb4 trigonal bipyramids. The Ho–Ni bond length is 2.75 Å. There are two shorter (3.17 Å) and two longer (3.20 Å) Ho–Sb bond lengths. In the third Ho site, Ho is bonded to one Ni and four equivalent Sb atoms to form a mixture of distorted edge, corner, and face-sharing HoNiSb4 trigonal bipyramids. The Ho–Ni bond length is 2.76 Å. There are two shorter (3.14 Å) and two longer (3.15 Å) Ho–Sb bond lengths. In the fourth Ho site, Ho is bonded to one Ni and four equivalent Sb atoms to form a mixture of distorted edge, corner, and face-sharing HoNiSb4 square pyramids. The Ho–Ni bond length is 2.94 Å. All Ho–Sb bond lengths are 3.10 Å. Ni is bonded to seven Ho atoms to form distorted edge-sharing NiHo7 pentagonal bipyramids. Sb is bonded in a 9-coordinate geometry to nine Ho atoms.