Materials Data on La2SO2 by Materials Project

Abstract

La2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All La–S bond lengths are 3.05 Å. There are one shorter (2.42 Å) and three longer (2.43 Å) La–O bond lengths. S2- is bonded to six equivalent La3+ atoms to form distorted SLa6 octahedra that share corners with twelve equivalent OLa4 tetrahedra, edges with six equivalent SLa6 octahedra, and edges with six equivalent OLa4 tetrahedra. O2- is bonded to four equivalent La3+ atoms to form OLa4 tetrahedra that share corners with six equivalent SLa6 octahedra, corners with six equivalent OLa4 tetrahedra, edges with three equivalent SLa6 octahedra, and edges with three equivalent OLa4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–50°.