Materials Data on Yb5Mg by Materials Project

Abstract

MgYb5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a distorted q6 geometry to ten Yb atoms. There are a spread of Mg–Yb bond distances ranging from 3.57–3.74 Å. There are five inequivalent Yb sites. In the first Yb site, Yb is bonded to twelve Yb atoms to form YbYb12 cuboctahedra that share corners with eighteen YbYb12 cuboctahedra, edges with ten YbYb10Mg2 cuboctahedra, and faces with eighteen YbYb12 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.77–3.85 Å. In the second Yb site, Yb is bonded to four equivalent Mg and eight Yb atoms to form a mixture of edge, face, and corner-sharing YbYb8Mg4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.62–3.79 Å. In the third Yb site, Yb is bonded to two equivalent Mg and ten Yb atoms to form a mixture of edge, face, and corner-sharing YbYb10Mg2 cuboctahedra. There are four shorter (3.70 Å) and two longer (3.79 Å) Yb–Yb bond lengths. In the fourth Yb site, Yb is bonded to two equivalent Mg and ten Yb atoms to form distorted YbYb10Mg2 cuboctahedra that share corners with twelve YbYb10Mg2 cuboctahedra, edges with fifteen YbYb12 cuboctahedra, and faces with eighteen YbYb12 cuboctahedra. There are two shorter (3.79 Å) and two longer (4.00 Å) Yb–Yb bond lengths. In the fifth Yb site, Yb is bonded to two equivalent Mg and ten Yb atoms to form distorted YbYb10Mg2 cuboctahedra that share corners with twelve YbYb10Mg2 cuboctahedra, edges with fifteen YbYb8Mg4 cuboctahedra, and faces with eighteen YbYb12 cuboctahedra. Both Yb–Yb bond lengths are 3.79 Å.