Materials Data on YOF by Materials Project

Abstract

YOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are three shorter (2.28 Å) and one longer (2.29 Å) Y–O bond lengths. There are three shorter (2.46 Å) and one longer (2.47 Å) Y–F bond lengths. O2- is bonded to four equivalent Y3+ atoms to form distorted OY4 tetrahedra that share corners with six equivalent OY4 tetrahedra, corners with ten equivalent FY4 tetrahedra, edges with three equivalent OY4 tetrahedra, and edges with three equivalent FY4 tetrahedra. F1- is bonded to four equivalent Y3+ atoms to form distorted FY4 tetrahedra that share corners with six equivalent FY4 tetrahedra, corners with ten equivalent OY4 tetrahedra, edges with three equivalent OY4 tetrahedra, and edges with three equivalent FY4 tetrahedra.