Materials Data on Y2Mg by Materials Project

Abstract

MgY2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight Y atoms. There are a spread of Mg–Y bond distances ranging from 3.29–3.34 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to six equivalent Mg and four equivalent Y atoms. There are two shorter (3.60 Å) and two longer (3.65 Å) Y–Y bond lengths. In the second Y site, Y is bonded to two equivalent Mg and ten Y atoms to form a mixture of distorted corner, edge, and face-sharing YY10Mg2 cuboctahedra. There are four shorter (3.41 Å) and two longer (3.70 Å) Y–Y bond lengths.