Materials Data on YOF by Materials Project

Abstract

YOF is half-Heusler structured and crystallizes in the cubic F-43m 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. All Y–O bond lengths are 2.36 Å. All Y–F bond lengths are 2.36 Å. O2- is bonded to four equivalent Y3+ atoms to form OY4 tetrahedra that share corners with four equivalent FY4 tetrahedra, corners with twelve equivalent OY4 tetrahedra, and edges with six equivalent FY4 tetrahedra. F1- is bonded to four equivalent Y3+ atoms to form FY4 tetrahedra that share corners with four equivalent OY4 tetrahedra, corners with twelve equivalent FY4 tetrahedra, and edges with six equivalent OY4 tetrahedra.