Materials Data on Er4InIr by Materials Project

Abstract

Er4IrIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent In atoms. Both Er–Ir bond lengths are 3.44 Å. Both Er–In bond lengths are 3.22 Å. In the second Er site, Er is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent In atoms. All Er–Ir bond lengths are 2.82 Å. All Er–In bond lengths are 3.42 Å. In the third Er site, Er is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent In atoms. Both Er–Ir bond lengths are 2.79 Å. Both Er–In bond lengths are 3.45 Å. Ir is bonded in a 6-coordinate geometry to nine Er atoms. In is bonded in a 12-coordinate geometry to nine Er and three equivalent In atoms. All In–In bond lengths are 3.19 Å.