Materials Data on Dy5Ir3 by Materials Project

Abstract

Dy5Ir3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to five Ir atoms to form distorted DyIr5 trigonal bipyramids that share corners with four equivalent DyIr4 tetrahedra, corners with eleven equivalent DyIr5 trigonal bipyramids, an edgeedge with one DyIr4 tetrahedra, edges with six equivalent DyIr5 trigonal bipyramids, and faces with two equivalent DyIr5 trigonal bipyramids. There are a spread of Dy–Ir bond distances ranging from 2.89–3.14 Å. In the second Dy site, Dy is bonded to four equivalent Ir atoms to form DyIr4 tetrahedra that share corners with sixteen equivalent DyIr5 trigonal bipyramids, edges with two equivalent DyIr4 tetrahedra, and edges with four equivalent DyIr5 trigonal bipyramids. All Dy–Ir bond lengths are 2.85 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Dy atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight equivalent Dy atoms.