Materials Data on Er3Rh2 by Materials Project

Abstract

Er3Rh2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are five inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six Rh atoms. There are a spread of Er–Rh bond distances ranging from 2.86–3.44 Å. In the second Er site, Er is bonded in a 4-coordinate geometry to four Rh atoms. There are two shorter (2.70 Å) and two longer (2.82 Å) Er–Rh bond lengths. In the third Er site, Er is bonded to six Rh atoms to form distorted ErRh6 octahedra that share an edgeedge with one ErRh6 octahedra and an edgeedge with one ErRh4 tetrahedra. There are a spread of Er–Rh bond distances ranging from 2.82–3.19 Å. In the fourth Er site, Er is bonded to four equivalent Rh atoms to form edge-sharing ErRh4 tetrahedra. All Er–Rh bond lengths are 2.88 Å. In the fifth Er site, Er is bonded in a 5-coordinate geometry to six Rh atoms. There are a spread of Er–Rh bond distances ranging from 2.74–3.42 Å. There are six inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Er atoms. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Er atoms. In the third Rh site, Rh is bonded in a body-centered cubic geometry to eight equivalent Er atoms. In the fourth Rh site, Rh is bonded in a 10-coordinate geometry to eight equivalent Er atoms. In the fifth Rh site, Rh is bonded in a 6-coordinate geometry to eight Er atoms. In the sixth Rh site, Rh is bonded in a 10-coordinate geometry to ten Er atoms.