Materials Data on Er3Ga8Rh3 by Materials Project

Abstract

Er3Rh3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to twelve Ga atoms to form distorted face-sharing ErGa12 cuboctahedra. There are eight shorter (3.17 Å) and four longer (3.20 Å) Er–Ga bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to four Rh and eight Ga atoms. There are two shorter (2.97 Å) and two longer (2.98 Å) Er–Rh bond lengths. There are four shorter (3.04 Å) and four longer (3.15 Å) Er–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Er and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.61 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Er and six Ga atoms. There are two shorter (2.55 Å) and four longer (2.59 Å) Rh–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Er, three Rh, and three equivalent Ga atoms. There are two shorter (2.65 Å) and one longer (2.70 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Er, one Rh, and four Ga atoms. The Ga–Ga bond length is 2.53 Å.