Materials Data on Lu2SO2 by Materials Project

Abstract

Lu2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Lu3+ is bonded in a 4-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Lu–S bond lengths are 2.82 Å. There are three shorter (2.21 Å) and one longer (2.24 Å) Lu–O bond lengths. S2- is bonded to six equivalent Lu3+ atoms to form distorted SLu6 octahedra that share corners with twelve equivalent OLu4 tetrahedra, edges with six equivalent SLu6 octahedra, and edges with six equivalent OLu4 tetrahedra. O2- is bonded to four equivalent Lu3+ atoms to form OLu4 tetrahedra that share corners with six equivalent SLu6 octahedra, corners with six equivalent OLu4 tetrahedra, edges with three equivalent SLu6 octahedra, and edges with three equivalent OLu4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–49°.