Materials Data on Sm2SO2 by Materials Project

Abstract

Sm2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Sm–S bond lengths are 2.96 Å. There are three shorter (2.34 Å) and one longer (2.36 Å) Sm–O bond lengths. S2- is bonded to six equivalent Sm3+ atoms to form distorted SSm6 octahedra that share corners with twelve equivalent OSm4 tetrahedra, edges with six equivalent SSm6 octahedra, and edges with six equivalent OSm4 tetrahedra. O2- is bonded to four equivalent Sm3+ atoms to form OSm4 tetrahedra that share corners with six equivalent SSm6 octahedra, corners with six equivalent OSm4 tetrahedra, edges with three equivalent SSm6 octahedra, and edges with three equivalent OSm4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–50°.