Materials Data on Er3Mg by Materials Project

Abstract

MgEr3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Er atoms. All Mg–Er bond lengths are 3.36 Å. There are two inequivalent Er sites. In the first Er site, Er is bonded to four equivalent Mg and eight Er atoms to form a mixture of edge, face, and corner-sharing ErEr8Mg4 cuboctahedra. There are four shorter (3.46 Å) and four longer (3.52 Å) Er–Er bond lengths. In the second Er site, Er is bonded to twelve Er atoms to form ErEr12 cuboctahedra that share corners with four equivalent ErEr12 cuboctahedra, edges with sixteen equivalent ErEr8Mg4 cuboctahedra, and faces with sixteen ErEr8Mg4 cuboctahedra. All Er–Er bond lengths are 3.52 Å.