Materials Data on Dy4MgNi by Materials Project

Abstract

Dy4NiMg crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Dy atoms to form a mixture of face and corner-sharing MgDy9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. There are a spread of Mg–Dy bond distances ranging from 3.28–3.53 Å. There are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Dy, and three equivalent Ni atoms. All Dy–Dy bond lengths are 3.51 Å. All Dy–Ni bond lengths are 2.79 Å. In the second Dy site, Dy is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Dy, and two equivalent Ni atoms. All Dy–Dy bond lengths are 3.62 Å. Both Dy–Ni bond lengths are 2.80 Å. In the third Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Mg, ten Dy, and two equivalent Ni atoms. All Dy–Dy bond lengths are 3.56 Å. Both Dy–Ni bond lengths are 3.51 Å. Ni is bonded in a 6-coordinate geometry to nine Dy atoms.