Materials Data on ErOF by Materials Project

Abstract

ErOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Er–O bond lengths are 2.26 Å. There are three shorter (2.43 Å) and one longer (2.46 Å) Er–F bond lengths. O2- is bonded to four equivalent Er3+ atoms to form distorted OEr4 tetrahedra that share corners with six equivalent OEr4 tetrahedra, corners with ten equivalent FEr4 tetrahedra, edges with three equivalent OEr4 tetrahedra, and edges with three equivalent FEr4 tetrahedra. F1- is bonded to four equivalent Er3+ atoms to form distorted FEr4 tetrahedra that share corners with six equivalent FEr4 tetrahedra, corners with ten equivalent OEr4 tetrahedra, edges with three equivalent OEr4 tetrahedra, and edges with three equivalent FEr4 tetrahedra.