Materials Data on Er8In3Co by Materials Project

Abstract

Er8CoIn3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to one Co and four equivalent In atoms. The Er–Co bond length is 2.82 Å. There are two shorter (3.24 Å) and two longer (3.78 Å) Er–In bond lengths. In the second Er site, Er is bonded in a 4-coordinate geometry to one Co and four equivalent In atoms. The Er–Co bond length is 2.80 Å. There are a spread of Er–In bond distances ranging from 3.07–3.72 Å. In the third Er site, Er is bonded to one Co and three equivalent In atoms to form distorted corner-sharing ErIn3Co tetrahedra. The corner-sharing octahedra tilt angles range from 13–48°. The Er–Co bond length is 2.68 Å. All Er–In bond lengths are 3.20 Å. In the fourth Er site, Er is bonded to six equivalent In atoms to form distorted ErIn6 octahedra that share corners with six equivalent ErIn3Co tetrahedra and faces with two equivalent ErIn6 octahedra. There are three shorter (3.36 Å) and three longer (3.41 Å) Er–In bond lengths. Co is bonded in a 7-coordinate geometry to seven Er atoms. In is bonded in a 11-coordinate geometry to eleven Er atoms.