Materials Data on GdOF by Materials Project

Abstract

GdOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are one shorter (2.31 Å) and three longer (2.32 Å) Gd–O bond lengths. There are three shorter (2.49 Å) and one longer (2.51 Å) Gd–F bond lengths. O2- is bonded to four equivalent Gd3+ atoms to form distorted OGd4 tetrahedra that share corners with six equivalent OGd4 tetrahedra, corners with ten equivalent FGd4 tetrahedra, edges with three equivalent OGd4 tetrahedra, and edges with three equivalent FGd4 tetrahedra. F1- is bonded to four equivalent Gd3+ atoms to form distorted FGd4 tetrahedra that share corners with six equivalent FGd4 tetrahedra, corners with ten equivalent OGd4 tetrahedra, edges with three equivalent OGd4 tetrahedra, and edges with three equivalent FGd4 tetrahedra.