Materials Data on Tm2SO2 by Materials Project

Abstract

Tm2SO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tm3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Tm–S bond lengths are 2.84 Å. There are three shorter (2.23 Å) and one longer (2.26 Å) Tm–O bond lengths. S2- is bonded to six equivalent Tm3+ atoms to form distorted STm6 octahedra that share corners with twelve equivalent OTm4 tetrahedra, edges with six equivalent STm6 octahedra, and edges with six equivalent OTm4 tetrahedra. O2- is bonded to four equivalent Tm3+ atoms to form OTm4 tetrahedra that share corners with six equivalent STm6 octahedra, corners with six equivalent OTm4 tetrahedra, edges with three equivalent STm6 octahedra, and edges with three equivalent OTm4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–49°.