Materials Data on Y8In3Co by Materials Project
Y8CoIn3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to one Co and four equivalent In atoms. The Y–Co bond length is 2.84 Å. There are two shorter (3.28 Å) and two longer (3.82 Å) Y–In bond lengths. In the second Y site, Y is bonded in a 4-coordinate geometry to one Co and four equivalent In atoms. The Y–Co bond length is 2.84 Å. There are a spread of Y–In bond distances ranging from 3.09–3.83 Å. In the third Y site, Y is bonded to one Co and three equivalent In atoms to form distorted corner-sharing YIn3Co tetrahedra. The corner-sharing octahedra tilt angles range from 14–48°. The Y–Co bond length is 2.70 Å. All Y–In bond lengths are 3.22 Å. In the fourth Y site, Y is bonded to six equivalent In atoms to form distorted YIn6 octahedra that share corners with six equivalent YIn3Co tetrahedra and faces with two equivalent YIn6 octahedra. There are three shorter (3.38 Å) and three longer (3.48 Å) Y–In bond lengths. Co is bonded in a 7-coordinate geometry to seven Y atoms. In is bonded in a 11-coordinate geometry to eleven Y atoms.