Materials Data on Ho8In3Co by Materials Project

Abstract

Ho8CoIn3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to one Co and four equivalent In atoms. The Ho–Co bond length is 2.81 Å. There are two shorter (3.25 Å) and two longer (3.79 Å) Ho–In bond lengths. In the second Ho site, Ho is bonded in a 4-coordinate geometry to one Co and four equivalent In atoms. The Ho–Co bond length is 2.81 Å. There are a spread of Ho–In bond distances ranging from 3.07–3.73 Å. In the third Ho site, Ho is bonded to one Co and three equivalent In atoms to form distorted corner-sharing HoIn3Co tetrahedra. The corner-sharing octahedra tilt angles range from 13–49°. The Ho–Co bond length is 2.70 Å. All Ho–In bond lengths are 3.21 Å. In the fourth Ho site, Ho is bonded to six equivalent In atoms to form distorted HoIn6 octahedra that share corners with six equivalent HoIn3Co tetrahedra and faces with two equivalent HoIn6 octahedra. There are three shorter (3.37 Å) and three longer (3.40 Å) Ho–In bond lengths. Co is bonded in a 7-coordinate geometry to seven Ho atoms. In is bonded in a 11-coordinate geometry to eleven Ho atoms.