Materials Data on Ho2ZnCuSi2 by Materials Project

Abstract

Ho2CuZnSi2 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to two equivalent Cu, four equivalent Zn, and six Si atoms to form a mixture of edge and face-sharing HoZn4Cu2Si6 cuboctahedra. Both Ho–Cu bond lengths are 3.05 Å. All Ho–Zn bond lengths are 3.08 Å. There are four shorter (3.09 Å) and two longer (3.13 Å) Ho–Si bond lengths. In the second Ho site, Ho is bonded to four equivalent Cu, two equivalent Zn, and six Si atoms to form a mixture of edge and face-sharing HoZn2Cu4Si6 cuboctahedra. All Ho–Cu bond lengths are 3.07 Å. Both Ho–Zn bond lengths are 3.11 Å. There are two shorter (3.03 Å) and four longer (3.07 Å) Ho–Si bond lengths. Cu is bonded in a 9-coordinate geometry to six Ho and three Si atoms. There are one shorter (2.30 Å) and two longer (2.32 Å) Cu–Si bond lengths. Zn is bonded in a distorted trigonal planar geometry to six Ho and three Si atoms. There are one shorter (2.37 Å) and two longer (2.38 Å) Zn–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to six Ho, two equivalent Cu, and one Zn atom. In the second Si site, Si is bonded in a 2-coordinate geometry to six Ho, one Cu, and two equivalent Zn atoms.