Materials Data on YbMg2 by Materials Project

Abstract

Mg2Yb 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 Yb atoms to form a mixture of edge, face, and corner-sharing MgYb6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. All Mg–Yb bond lengths are 3.63 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Yb atoms to form a mixture of edge, face, and corner-sharing MgYb6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. There are four shorter (3.62 Å) and two longer (3.64 Å) Mg–Yb bond lengths. Yb is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Yb atoms. There are one shorter (3.78 Å) and three longer (3.79 Å) Yb–Yb bond lengths.