Materials Data on DyOF by Materials Project

Abstract

DyOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are one shorter (2.27 Å) and three longer (2.28 Å) Dy–O bond lengths. There are three shorter (2.45 Å) and one longer (2.47 Å) Dy–F bond lengths. O2- is bonded to four equivalent Dy3+ atoms to form distorted ODy4 tetrahedra that share corners with six equivalent ODy4 tetrahedra, corners with ten equivalent FDy4 tetrahedra, edges with three equivalent ODy4 tetrahedra, and edges with three equivalent FDy4 tetrahedra. F1- is bonded to four equivalent Dy3+ atoms to form distorted FDy4 tetrahedra that share corners with six equivalent FDy4 tetrahedra, corners with ten equivalent ODy4 tetrahedra, edges with three equivalent ODy4 tetrahedra, and edges with three equivalent FDy4 tetrahedra.