Materials Data on NdDy3 by Materials Project

Abstract

Dy3Nd is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Nd atoms to form DyNd4Dy8 cuboctahedra that share corners with twelve equivalent DyNd4Dy8 cuboctahedra, edges with eight equivalent NdDy12 cuboctahedra, edges with sixteen DyNd4Dy8 cuboctahedra, faces with four equivalent NdDy12 cuboctahedra, and faces with fourteen DyNd4Dy8 cuboctahedra. All Dy–Dy bond lengths are 3.58 Å. All Dy–Nd bond lengths are 3.58 Å. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Nd atoms to form DyNd4Dy8 cuboctahedra that share corners with four equivalent DyNd4Dy8 cuboctahedra, corners with eight equivalent NdDy12 cuboctahedra, edges with twenty-four DyNd4Dy8 cuboctahedra, faces with six equivalent NdDy12 cuboctahedra, and faces with twelve DyNd4Dy8 cuboctahedra. All Dy–Nd bond lengths are 3.58 Å. Nd is bonded to twelve Dy atoms to form NdDy12 cuboctahedra that share corners with four equivalent NdDy12 cuboctahedra, corners with eight equivalent DyNd4Dy8 cuboctahedra, edges with eight equivalent NdDy12 cuboctahedra, edges with sixteen equivalent DyNd4Dy8 cuboctahedra, faces with four equivalent NdDy12 cuboctahedra, and faces with fourteen DyNd4Dy8 cuboctahedra.