Materials Data on Tm8In3Co by Materials Project

Abstract

Tm8CoIn3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 3-coordinate geometry to one Co and four equivalent In atoms. The Tm–Co bond length is 2.82 Å. There are two shorter (3.24 Å) and two longer (3.75 Å) Tm–In bond lengths. In the second Tm site, Tm is bonded in a 4-coordinate geometry to one Co and four equivalent In atoms. The Tm–Co bond length is 2.79 Å. There are a spread of Tm–In bond distances ranging from 3.05–3.73 Å. In the third Tm site, Tm is bonded to one Co and three equivalent In atoms to form distorted corner-sharing TmIn3Co tetrahedra. The corner-sharing octahedra tilt angles range from 14–48°. The Tm–Co bond length is 2.67 Å. All Tm–In bond lengths are 3.18 Å. In the fourth Tm site, Tm is bonded to six equivalent In atoms to form distorted TmIn6 octahedra that share corners with six equivalent TmIn3Co tetrahedra and faces with two equivalent TmIn6 octahedra. There are three shorter (3.34 Å) and three longer (3.40 Å) Tm–In bond lengths. Co is bonded in a 7-coordinate geometry to seven Tm atoms. In is bonded in a 11-coordinate geometry to eleven Tm atoms.