Materials Data on Er5CoBi2 by Materials Project

Abstract

Er5CoBi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded to one Co and four equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing ErCoBi4 trigonal bipyramids. The Er–Co bond length is 2.68 Å. All Er–Bi bond lengths are 3.18 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to one Co and four equivalent Bi atoms. The Er–Co bond length is 2.66 Å. There are two shorter (3.26 Å) and two longer (3.27 Å) Er–Bi bond lengths. In the third Er site, Er is bonded to one Co and four equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing ErCoBi4 trigonal bipyramids. The Er–Co bond length is 2.94 Å. There are two shorter (3.14 Å) and two longer (3.18 Å) Er–Bi bond lengths. In the fourth Er site, Er is bonded in a 2-coordinate geometry to two equivalent Co and three equivalent Bi atoms. There are one shorter (2.78 Å) and one longer (2.80 Å) Er–Co bond lengths. There are a spread of Er–Bi bond distances ranging from 3.33–3.67 Å. Co is bonded to seven Er atoms to form distorted edge-sharing CoEr7 pentagonal bipyramids. Bi is bonded in a 9-coordinate geometry to nine Er atoms.