Materials Data on Ce2SO2 by Materials Project

Ce2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ce3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Ce–S bond lengths are 2.97 Å. There are three shorter (2.36 Å) and one longer (2.37 Å) Ce–O bond lengths. S2- is bonded to six equivalent Ce3+ atoms to form distorted SCe6 octahedra that share corners with twelve equivalent OCe4 tetrahedra, edges with six equivalent SCe6 octahedra, and edges with six equivalent OCe4 tetrahedra. O2- is bonded to four equivalent Ce3+ atoms to form OCe4 tetrahedra that share corners with six equivalent SCe6 octahedra, corners with six equivalent OCe4 tetrahedra, edges with three equivalent SCe6 octahedra, and edges with three equivalent OCe4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–50°.