Materials Data on Co5O8 by Materials Project

Abstract

Co5O8 is beta indium sulfide-like structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Co+3.20+ sites. In the first Co+3.20+ site, Co+3.20+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with three equivalent CoO4 tetrahedra and edges with six equivalent CoO6 octahedra. There is three shorter (1.87 Å) and three longer (1.94 Å) Co–O bond length. In the second Co+3.20+ site, Co+3.20+ is bonded to four equivalent O2- atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. All Co–O bond lengths are 1.92 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Co+3.20+ atoms. In the second O2- site, O2- is bonded to four Co+3.20+ atoms to form a mixture of distorted edge and corner-sharing OCo4 tetrahedra.