Materials Data on AcOF by Materials Project

Abstract

AcOF is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ac3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Ac–O bond lengths are 2.59 Å. All Ac–F bond lengths are 2.59 Å. O2- is bonded to four equivalent Ac3+ atoms to form OAc4 tetrahedra that share corners with four equivalent FAc4 tetrahedra, corners with twelve equivalent OAc4 tetrahedra, and edges with six equivalent FAc4 tetrahedra. F1- is bonded to four equivalent Ac3+ atoms to form FAc4 tetrahedra that share corners with four equivalent OAc4 tetrahedra, corners with twelve equivalent FAc4 tetrahedra, and edges with six equivalent OAc4 tetrahedra.