Materials Data on Co21(SnB3)2 by Materials Project

Abstract

Co21(B3Sn)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three 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 2.50 Å. In the second Co site, Co is bonded in a 4-coordinate geometry to three equivalent B and one Sn atom. All Co–B bond lengths are 2.07 Å. The Co–Sn bond length is 2.48 Å. In the third 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 2.11 Å. B is bonded in a 8-coordinate geometry to eight Co atoms. Sn is bonded in a distorted tetrahedral geometry to four equivalent Co atoms.