Materials Data on Co23B6 by Materials Project

Abstract

Co23B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Co sites. In the first Co site, Co is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Co–Co bond lengths are 2.49 Å. In the second Co site, Co is bonded in a tetrahedral geometry to four equivalent Co atoms. All Co–Co bond lengths are 2.35 Å. In the third Co site, Co is bonded in a 3-coordinate geometry to one Co and three equivalent B atoms. All Co–B bond lengths are 2.07 Å. In the fourth Co site, Co is bonded in a distorted bent 150 degrees geometry to one Co and two equivalent B atoms. Both Co–B bond lengths are 2.09 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.