Materials Data on Er2(Al3Rh)3 by Materials Project

Abstract

Er2(RhAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to six Rh and eleven Al atoms. There are a spread of Er–Rh bond distances ranging from 3.42–3.46 Å. There are a spread of Er–Al bond distances ranging from 3.04–3.14 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Er and eight Al atoms. There are four shorter (2.55 Å) and four longer (2.62 Å) Rh–Al bond lengths. In the second Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Er and eight Al atoms. There are a spread of Rh–Al bond distances ranging from 2.55–2.62 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Er and two equivalent Rh atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Er and three Rh atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Er and three Rh atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Er and two equivalent Rh atoms.