Materials Data on Co4SbO8 by Materials Project

Abstract

Co4SbO8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Co+2.75+ sites. In the first Co+2.75+ site, Co+2.75+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with three equivalent SbO6 octahedra and corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 54–61°. There is three shorter (1.96 Å) and one longer (1.98 Å) Co–O bond length. In the second Co+2.75+ site, Co+2.75+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO4 tetrahedra, edges with two equivalent CoO6 octahedra, and edges with two equivalent SbO6 octahedra. There are a spread of Co–O bond distances ranging from 1.90–2.07 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent CoO4 tetrahedra and edges with four equivalent CoO6 octahedra. There are four shorter (2.00 Å) and two longer (2.05 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Co+2.75+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Co+2.75+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Co+2.75+ and one Sb5+ atom.