Materials Data on V3(Co10B3)2 by Materials Project

Abstract

V3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All V–Co bond lengths are 2.50 Å. In the second V site, V is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All V–Co bond lengths are 2.35 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to one V and three equivalent B atoms to form a mixture of edge and corner-sharing CoVB3 tetrahedra. All Co–B bond lengths are 2.08 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one V and two equivalent B atoms. Both Co–B bond lengths are 2.07 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.