Materials Data on Co2TeSO8 by Materials Project

Co2TeSO8 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Co3+ is bonded to six O2- atoms to form distorted CoO6 octahedra that share a cornercorner with one CoO6 octahedra, corners with two equivalent SO4 tetrahedra, and edges with two equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Co–O bond distances ranging from 1.83–2.20 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.90 Å) and two longer (1.92 Å) Te–O bond length. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of S–O bond distances ranging from 1.45–1.54 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Co3+ and one S6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Co3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Co3+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Co3+ atoms.