Materials Data on Y2Mg by Materials Project

MgY2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Y atoms. There are three shorter (3.42 Å) and three longer (3.43 Å) Mg–Y bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to six Y atoms. There are three shorter (3.42 Å) and three longer (3.43 Å) Mg–Y bond lengths. There are three inequivalent Y sites. In the first Y site, Y is bonded to twelve Y atoms to form a mixture of edge, face, and corner-sharing YY12 cuboctahedra. There are six shorter (3.52 Å) and six longer (3.55 Å) Y–Y bond lengths. In the second Y site, Y is bonded to three equivalent Mg and nine Y atoms to form YY9Mg3 cuboctahedra that share corners with eighteen YY9Mg3 cuboctahedra, edges with twelve YY12 cuboctahedra, and faces with fourteen YY12 cuboctahedra. All Y–Y bond lengths are 3.55 Å. In the third Y site, Y is bonded to six Mg and six equivalent Y atoms to form YY6Mg6 cuboctahedra that share corners with eighteen YY9Mg3 cuboctahedra, edges with six equivalent YY6Mg6 cuboctahedra, and faces with eight YY9Mg3 cuboctahedra. All Y–Y bond lengths are 3.55 Å.