Materials Data on ErMg2 by Materials Project

Abstract

ErMg2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc 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 corner, edge, and face-sharing MgEr6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. All Mg–Er bond lengths are 3.53 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Er atoms to form a mixture of corner, edge, and face-sharing MgEr6Mg6 cuboctahedra. There are two shorter (2.93 Å) and two longer (3.09 Å) Mg–Mg bond lengths. There are two shorter (3.50 Å) and four longer (3.52 Å) Mg–Er bond lengths. Er is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Er atoms. There are one shorter (3.64 Å) and three longer (3.69 Å) Er–Er bond lengths.