Materials Data on Dy3Ir2 by Materials Project

Dy3Ir2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are five inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Dy–Ir bond distances ranging from 2.89–3.47 Å. In the second Dy site, Dy is bonded in a 4-coordinate geometry to four Ir atoms. There are two shorter (2.72 Å) and two longer (2.84 Å) Dy–Ir bond lengths. In the third Dy site, Dy is bonded to six Ir atoms to form distorted DyIr6 octahedra that share an edgeedge with one DyIr6 octahedra and an edgeedge with one DyIr4 tetrahedra. There are a spread of Dy–Ir bond distances ranging from 2.86–3.23 Å. In the fourth Dy site, Dy is bonded to four equivalent Ir atoms to form edge-sharing DyIr4 tetrahedra. All Dy–Ir bond lengths are 2.90 Å. In the fifth Dy site, Dy is bonded in a 5-coordinate geometry to six Ir atoms. There are a spread of Dy–Ir bond distances ranging from 2.78–3.45 Å. There are six 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 Dy atoms. In the third Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. In the fourth Ir site, Ir is bonded in a 10-coordinate geometry to eight equivalent Dy atoms. In the fifth Ir site, Ir is bonded in a 6-coordinate geometry to eight Dy atoms. In the sixth Ir site, Ir is bonded in a 10-coordinate geometry to ten Dy atoms.