Materials Data on TbOF by Materials Project
TbOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Tb–O bond lengths are 2.29 Å. There are three shorter (2.46 Å) and one longer (2.48 Å) Tb–F bond lengths. O2- is bonded to four equivalent Tb3+ atoms to form distorted OTb4 tetrahedra that share corners with six equivalent OTb4 tetrahedra, corners with ten equivalent FTb4 tetrahedra, edges with three equivalent OTb4 tetrahedra, and edges with three equivalent FTb4 tetrahedra. F1- is bonded to four equivalent Tb3+ atoms to form distorted FTb4 tetrahedra that share corners with six equivalent FTb4 tetrahedra, corners with ten equivalent OTb4 tetrahedra, edges with three equivalent OTb4 tetrahedra, and edges with three equivalent FTb4 tetrahedra.