Materials Data on Co3O4 by Materials Project

Abstract

Co3O4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO4 tetrahedra and edges with six equivalent CoO6 octahedra. All Co–O bond lengths are 1.93 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to four equivalent O2- atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. All Co–O bond lengths are 1.96 Å. O2- is bonded to four Co+2.67+ atoms to form a mixture of distorted edge and corner-sharing OCo4 trigonal pyramids.