Materials Data on YMg2 by Materials Project

Abstract

Mg2Y is Cubic Laves structured and crystallizes in the trigonal R32 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 Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.03 Å. All Mg–Y bond lengths are 3.54 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.01 Å. There are a spread of Mg–Y bond distances ranging from 3.53–3.56 Å. Y is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Y atoms. All Y–Y bond lengths are 3.70 Å.