Materials Data on ErZnGe by Materials Project

Abstract

ErZnGe 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 Ge atoms. All Er–Zn bond lengths are 2.90 Å. All Er–Ge bond lengths are 3.23 Å. In the second Er site, Er is bonded to six equivalent Ge atoms to form distorted edge-sharing ErGe6 octahedra. All Er–Ge bond lengths are 2.99 Å. Zn is bonded in a 3-coordinate geometry to three equivalent Er and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.50 Å. Ge is bonded in a 6-coordinate geometry to six Er and three equivalent Zn atoms.