Materials Data on Er4MgNi by Materials Project

Er4NiMg crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Er atoms to form a mixture of face and corner-sharing MgEr9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. There are a spread of Mg–Er bond distances ranging from 3.26–3.51 Å. There are three inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to two equivalent Mg, ten Er, and two equivalent Ni atoms. There are a spread of Er–Er bond distances ranging from 3.49–3.61 Å. Both Er–Ni bond lengths are 3.49 Å. In the second Er site, Er is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Er, and three equivalent Ni atoms. All Er–Ni bond lengths are 2.79 Å. In the third Er site, Er is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Er, and two equivalent Ni atoms. Both Er–Ni bond lengths are 2.79 Å. Ni is bonded in a 6-coordinate geometry to nine Er atoms.