Materials Data on Dy2SO2 by Materials Project

Abstract

Dy2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Dy3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Dy–S bond lengths are 2.89 Å. There are three shorter (2.28 Å) and one longer (2.30 Å) Dy–O bond lengths. S2- is bonded to six equivalent Dy3+ atoms to form distorted SDy6 octahedra that share corners with twelve equivalent ODy4 tetrahedra, edges with six equivalent SDy6 octahedra, and edges with six equivalent ODy4 tetrahedra. O2- is bonded to four equivalent Dy3+ atoms to form ODy4 tetrahedra that share corners with six equivalent SDy6 octahedra, corners with six equivalent ODy4 tetrahedra, edges with three equivalent SDy6 octahedra, and edges with three equivalent ODy4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–50°.