Materials Data on Pr4MgRu by Materials Project
MgPr4Ru crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Pr atoms to form a mixture of corner and face-sharing MgPr9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.17 Å. There are three shorter (3.47 Å) and six longer (3.68 Å) Mg–Pr bond lengths. There are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg and two equivalent Ru atoms. Both Pr–Ru bond lengths are 3.63 Å. In the second Pr site, Pr is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Ru atoms. Both Pr–Ru bond lengths are 2.88 Å. In the third Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Ru atoms. All Pr–Ru bond lengths are 2.97 Å. Ru is bonded in a 6-coordinate geometry to nine Pr atoms.