Materials Data on Er6InCo2 by Materials Project

Abstract

Er6Co2In crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to three Co and two In atoms. There are two shorter (2.88 Å) and one longer (3.22 Å) Er–Co bond lengths. There are one shorter (3.21 Å) and one longer (3.56 Å) Er–In bond lengths. In the second Er site, Er is bonded in a 4-coordinate geometry to three Co and one In atom. There are one shorter (2.71 Å) and two longer (2.84 Å) Er–Co bond lengths. The Er–In bond length is 3.36 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to two Co and two In atoms. There are one shorter (2.77 Å) and one longer (3.14 Å) Er–Co bond lengths. There are one shorter (3.04 Å) and one longer (3.32 Å) Er–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Er and one Co atom. The Co–Co bond length is 2.23 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Er and one Co atom. The Co–Co bond length is 2.35 Å. There are two inequivalent In sites. In the first In site, In is bonded in a cuboctahedral geometry to twelve Er atoms. In the second In site, In is bonded in a body-centered cubic geometry to eight Er atoms.