Materials Data on Co5SbO8 by Materials Project

Abstract

Co5SbO8 is Spinel-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Co+2.20+ sites. In the first Co+2.20+ site, Co+2.20+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with three equivalent SbO6 octahedra and corners with nine equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 57–59°. There are one shorter (2.00 Å) and three longer (2.01 Å) Co–O bond lengths. In the second Co+2.20+ site, Co+2.20+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO4 tetrahedra, edges with two equivalent SbO6 octahedra, and edges with four equivalent CoO6 octahedra. There are two shorter (2.02 Å) and four longer (2.12 Å) Co–O bond lengths. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent CoO4 tetrahedra and edges with six equivalent CoO6 octahedra. All Sb–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Co+2.20+ and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OCo3Sb trigonal pyramids. In the second O2- site, O2- is bonded to four Co+2.20+ atoms to form a mixture of distorted edge and corner-sharing OCo4 trigonal pyramids.