Materials Data on Tb4MgRu by Materials Project
MgTb4Ru 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 corner and face-sharing MgTb9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.08 Å. There are three shorter (3.34 Å) and six longer (3.58 Å) Mg–Tb bond lengths. 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 Ru atoms. All Tb–Ru 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 Ru atoms. Both Tb–Ru bond lengths are 2.79 Å. In the third Tb site, Tb is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg and two equivalent Ru atoms. Both Tb–Ru bond lengths are 3.53 Å. Ru is bonded in a 6-coordinate geometry to nine Tb atoms.