Materials Data on Y2Mg by Materials Project

Abstract

MgY2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to five equivalent Mg and seven Y atoms. There are two shorter (3.43 Å) and three longer (3.56 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.35–3.45 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to three equivalent Mg and nine Y atoms to form YY9Mg3 cuboctahedra that share corners with twelve YY8Mg4 cuboctahedra, edges with eleven YY9Mg3 cuboctahedra, and faces with thirteen YY8Mg4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.46–3.60 Å. In the second Y site, Y is bonded to four equivalent Mg and eight Y atoms to form YY8Mg4 cuboctahedra that share corners with twelve YY9Mg3 cuboctahedra, edges with nine YY8Mg4 cuboctahedra, and faces with fourteen YY9Mg3 cuboctahedra. There are one shorter (3.54 Å) and two longer (3.56 Å) Y–Y bond lengths.