Materials Data on Tb4MgRh by Materials Project

Abstract

MgTb4Rh crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Tb atoms to form a mixture of face and corner-sharing MgTb9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. There are a spread of Mg–Tb bond distances ranging from 3.32–3.57 Å. There are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Rh atoms. All Tb–Rh bond lengths are 2.84 Å. In the second Tb site, Tb is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Rh atoms. Both Tb–Rh bond lengths are 2.84 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Rh atoms. Both Tb–Rh bond lengths are 3.54 Å. Rh is bonded in a 6-coordinate geometry to nine Tb atoms.