Materials Data on ErZnSn by Materials Project

Abstract

ErZnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All Er–Zn bond lengths are 2.96 Å. All Er–Sn bond lengths are 3.35 Å. In the second Er site, Er is bonded to six equivalent Zn and six equivalent Sn atoms to form distorted face-sharing ErZn6Sn6 octahedra. All Er–Zn bond lengths are 3.57 Å. All Er–Sn bond lengths are 3.13 Å. Zn is bonded in a 10-coordinate geometry to six Er, one Zn, and three equivalent Sn atoms. The Zn–Zn bond length is 2.80 Å. All Zn–Sn bond lengths are 2.70 Å. Sn is bonded in a 9-coordinate geometry to six Er and three equivalent Zn atoms.