Materials Data on Lu8In3Co by Materials Project

Abstract

Lu8CoIn3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 3-coordinate geometry to one Co and four equivalent In atoms. The Lu–Co bond length is 2.82 Å. There are two shorter (3.20 Å) and two longer (3.72 Å) Lu–In bond lengths. In the second Lu site, Lu is bonded in a 4-coordinate geometry to one Co and four equivalent In atoms. The Lu–Co bond length is 2.75 Å. There are a spread of Lu–In bond distances ranging from 3.03–3.70 Å. In the third Lu site, Lu is bonded to one Co and three equivalent In atoms to form distorted corner-sharing LuIn3Co tetrahedra. The corner-sharing octahedra tilt angles range from 14–47°. The Lu–Co bond length is 2.64 Å. All Lu–In bond lengths are 3.14 Å. In the fourth Lu site, Lu is bonded to six equivalent In atoms to form distorted LuIn6 octahedra that share corners with six equivalent LuIn3Co tetrahedra and faces with two equivalent LuIn6 octahedra. There are three shorter (3.30 Å) and three longer (3.40 Å) Lu–In bond lengths. Co is bonded in a 7-coordinate geometry to seven Lu atoms. In is bonded in a 11-coordinate geometry to eleven Lu atoms.