Materials Data on Yb4MgPd by Materials Project

Abstract

MgYb4Pd crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Yb atoms to form a mixture of corner and face-sharing MgYb9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.17 Å. There are a spread of Mg–Yb bond distances ranging from 3.49–3.72 Å. There are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Pd atoms. Both Yb–Pd bond lengths are 3.58 Å. In the second Yb site, Yb is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Pd atoms. Both Yb–Pd bond lengths are 2.93 Å. In the third Yb site, Yb is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Pd atoms. All Yb–Pd bond lengths are 2.94 Å. Pd is bonded in a 6-coordinate geometry to nine Yb atoms.