Materials Data on In3(Co10B3)2 by Materials Project

Abstract

In3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded in a 4-coordinate geometry to one In and three equivalent B atoms. The Co–In bond length is 2.53 Å. All Co–B bond lengths are 2.08 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to three In and two equivalent B atoms. There are one shorter (2.60 Å) and two longer (2.92 Å) Co–In bond lengths. Both Co–B bond lengths are 2.15 Å. There are two inequivalent In sites. In the first In site, In is bonded to twelve equivalent Co atoms to form face-sharing InCo12 cuboctahedra. In the second In site, In is bonded to sixteen Co atoms to form distorted InCo16 tetrahedra that share edges with six equivalent InCo16 tetrahedra and faces with four equivalent InCo12 cuboctahedra. B is bonded in a 8-coordinate geometry to eight Co atoms.