Materials Data on CoSbO4 by Materials Project

Abstract

CoSbO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four equivalent CoO6 octahedra and edges with four equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There is two shorter (1.89 Å) and four longer (1.99 Å) Co–O bond length. Sb5+ is bonded to six O2- atoms to form distorted SbO6 octahedra that share corners with four equivalent SbO6 octahedra and edges with four equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There is two shorter (1.98 Å) and four longer (2.00 Å) Sb–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a T-shaped geometry to two equivalent Co3+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Co3+ and two equivalent Sb5+ atoms.