Materials Data on Y3Rh2 by Materials Project

Abstract

Y3Rh2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are five inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Rh atoms to form edge-sharing YRh4 tetrahedra. All Y–Rh bond lengths are 2.92 Å. In the second Y site, Y is bonded to six Rh atoms to form distorted YRh6 octahedra that share an edgeedge with one YRh6 octahedra and an edgeedge with one YRh4 tetrahedra. There are a spread of Y–Rh bond distances ranging from 2.87–3.24 Å. In the third Y site, Y is bonded in a 4-coordinate geometry to four Rh atoms. There are two shorter (2.74 Å) and two longer (2.86 Å) Y–Rh bond lengths. In the fourth Y site, Y is bonded in a 5-coordinate geometry to six Rh atoms. There are a spread of Y–Rh bond distances ranging from 2.77–3.47 Å. In the fifth Y site, Y is bonded in a 6-coordinate geometry to six Rh atoms. There are a spread of Y–Rh bond distances ranging from 2.91–3.50 Å. There are six inequivalent Rh sites. In the first Rh site, Rh is bonded in a 10-coordinate geometry to ten Y atoms. In the second Rh site, Rh is bonded in a 6-coordinate geometry to eight Y atoms. In the third Rh site, Rh is bonded in a 10-coordinate geometry to eight equivalent Y atoms. In the fourth Rh site, Rh is bonded in a body-centered cubic geometry to eight equivalent Y atoms. In the fifth Rh site, Rh is bonded in a 8-coordinate geometry to eight Y atoms. In the sixth Rh site, Rh is bonded in a 8-coordinate geometry to eight Y atoms.