Materials Data on Yb5Mg by Materials Project

Abstract

MgYb5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to twelve Yb atoms to form MgYb12 cuboctahedra that share corners with eighteen equivalent YbYb9Mg3 cuboctahedra, edges with six equivalent MgYb12 cuboctahedra, edges with twelve equivalent YbYb10Mg2 cuboctahedra, faces with two equivalent MgYb12 cuboctahedra, and faces with eighteen YbYb9Mg3 cuboctahedra. There are six shorter (3.71 Å) and six longer (3.73 Å) Mg–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded to three equivalent Mg and nine Yb atoms to form YbYb9Mg3 cuboctahedra that share corners with nine equivalent MgYb12 cuboctahedra, corners with nine equivalent YbYb9Mg3 cuboctahedra, edges with eighteen YbYb9Mg3 cuboctahedra, faces with three equivalent MgYb12 cuboctahedra, and faces with seventeen YbYb9Mg3 cuboctahedra. There are three shorter (3.73 Å) and six longer (3.76 Å) Yb–Yb bond lengths. In the second Yb site, Yb is bonded to two equivalent Mg and ten Yb atoms to form YbYb10Mg2 cuboctahedra that share corners with eighteen equivalent YbYb10Mg2 cuboctahedra, edges with four equivalent MgYb12 cuboctahedra, edges with fourteen YbYb9Mg3 cuboctahedra, faces with four equivalent MgYb12 cuboctahedra, and faces with sixteen YbYb9Mg3 cuboctahedra. There are two shorter (3.62 Å) and four longer (3.79 Å) Yb–Yb bond lengths.