Materials Data on HoOF by Materials Project

Abstract

HoOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ho3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Ho–O bond lengths are 2.26 Å. There are three shorter (2.44 Å) and one longer (2.45 Å) Ho–F bond lengths. O2- is bonded to four equivalent Ho3+ atoms to form distorted OHo4 tetrahedra that share corners with six equivalent OHo4 tetrahedra, corners with ten equivalent FHo4 tetrahedra, edges with three equivalent OHo4 tetrahedra, and edges with three equivalent FHo4 tetrahedra. F1- is bonded to four equivalent Ho3+ atoms to form distorted FHo4 tetrahedra that share corners with six equivalent FHo4 tetrahedra, corners with ten equivalent OHo4 tetrahedra, edges with three equivalent OHo4 tetrahedra, and edges with three equivalent FHo4 tetrahedra.