Materials Data on Yb2Mg by Materials Project

Abstract

MgYb2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight Yb atoms. There are a spread of Mg–Yb bond distances ranging from 3.43–3.54 Å. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to six equivalent Mg and four equivalent Yb atoms. There are two shorter (3.78 Å) and two longer (3.98 Å) Yb–Yb bond lengths. In the second Yb site, Yb is bonded to two equivalent Mg and ten Yb atoms to form a mixture of distorted edge, face, and corner-sharing YbYb10Mg2 cuboctahedra. There are four shorter (3.68 Å) and two longer (3.72 Å) Yb–Yb bond lengths.