Materials Data on Dy3Rh2 by Materials Project

Abstract

Dy3Rh2 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 Rh atoms. There are a spread of Dy–Rh bond distances ranging from 2.89–3.47 Å. In the second Dy site, Dy is bonded in a 4-coordinate geometry to four Rh atoms. There are two shorter (2.72 Å) and two longer (2.84 Å) Dy–Rh bond lengths. In the third Dy site, Dy is bonded to six Rh atoms to form distorted DyRh6 octahedra that share an edgeedge with one DyRh6 octahedra and an edgeedge with one DyRh4 tetrahedra. There are a spread of Dy–Rh bond distances ranging from 2.85–3.22 Å. In the fourth Dy site, Dy is bonded to four equivalent Rh atoms to form edge-sharing DyRh4 tetrahedra. All Dy–Rh bond lengths are 2.90 Å. In the fifth Dy site, Dy is bonded in a 5-coordinate geometry to six Rh atoms. There are a spread of Dy–Rh bond distances ranging from 2.76–3.45 Å. There are six inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Dy atoms. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Dy atoms. In the third Rh site, Rh is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. In the fourth Rh site, Rh is bonded in a 10-coordinate geometry to eight equivalent Dy atoms. In the fifth Rh site, Rh is bonded in a 6-coordinate geometry to eight Dy atoms. In the sixth Rh site, Rh is bonded in a 10-coordinate geometry to ten Dy atoms.