Materials Data on Sm4MgRu by Materials Project

MgSm4Ru crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Sm atoms to form a mixture of corner and face-sharing MgSm9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. There are a spread of Mg–Sm bond distances ranging from 3.39–3.63 Å. There are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 4-coordinate geometry to two equivalent Mg, ten Sm, and two equivalent Ru atoms. There are two shorter (3.57 Å) and eight longer (3.70 Å) Sm–Sm bond lengths. Both Sm–Ru bond lengths are 3.57 Å. In the second Sm site, Sm is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Sm, and two equivalent Ru atoms. Both Sm–Ru bond lengths are 2.82 Å. In the third Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Sm, and three equivalent Ru atoms. All Sm–Ru bond lengths are 2.88 Å. Ru is bonded in a 6-coordinate geometry to nine Sm atoms.