Materials Data on NdOF by Materials Project

Abstract

NdOF is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Nd–O bond lengths are 2.45 Å. All Nd–F bond lengths are 2.45 Å. O2- is bonded to four equivalent Nd3+ atoms to form ONd4 tetrahedra that share corners with four equivalent FNd4 tetrahedra, corners with twelve equivalent ONd4 tetrahedra, and edges with six equivalent FNd4 tetrahedra. F1- is bonded to four equivalent Nd3+ atoms to form FNd4 tetrahedra that share corners with four equivalent ONd4 tetrahedra, corners with twelve equivalent FNd4 tetrahedra, and edges with six equivalent ONd4 tetrahedra.