Materials Data on ErMg2 by Materials Project

Abstract

ErMg2 is Cubic Laves structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Er atoms to form a mixture of edge, face, and corner-sharing MgEr6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.00 Å. All Mg–Er bond lengths are 3.52 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Er atoms to form a mixture of edge, face, and corner-sharing MgEr6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.00 Å. All Mg–Er bond lengths are 3.52 Å. Er is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Er atoms. There are three shorter (3.67 Å) and one longer (3.69 Å) Er–Er bond lengths.