Materials Data on Dy3Mg by Materials Project

Abstract

MgDy3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Dy atoms. All Mg–Dy bond lengths are 3.38 Å. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Mg and eight Dy atoms to form a mixture of edge, corner, and face-sharing DyDy8Mg4 cuboctahedra. There are four shorter (3.50 Å) and four longer (3.55 Å) Dy–Dy bond lengths. In the second Dy site, Dy is bonded to twelve Dy atoms to form DyDy12 cuboctahedra that share corners with four equivalent DyDy12 cuboctahedra, edges with sixteen equivalent DyDy8Mg4 cuboctahedra, and faces with sixteen DyDy8Mg4 cuboctahedra. All Dy–Dy bond lengths are 3.55 Å.