Materials Data on Ho4MgRu by Materials Project
MgHo4Ru crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Ho atoms to form a mixture of corner and face-sharing MgHo9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.06 Å. There are a spread of Mg–Ho bond distances ranging from 3.31–3.56 Å. There are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Ho, and three equivalent Ru atoms. All Ho–Ho bond lengths are 3.50 Å. All Ho–Ru bond lengths are 2.81 Å. In the second Ho site, Ho is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Ho, and two equivalent Ru atoms. All Ho–Ho bond lengths are 3.63 Å. Both Ho–Ru bond lengths are 2.77 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Mg, ten Ho, and two equivalent Ru atoms. All Ho–Ho bond lengths are 3.62 Å. Both Ho–Ru bond lengths are 3.50 Å. Ru is bonded in a 6-coordinate geometry to nine Ho atoms.