Materials Data on PuOF by Materials Project

Abstract

PuOF is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pu3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Pu–O bond lengths are 2.43 Å. All Pu–F bond lengths are 2.43 Å. O2- is bonded to four equivalent Pu3+ atoms to form distorted OPu4 tetrahedra that share corners with four equivalent FPu4 tetrahedra, corners with twelve equivalent OPu4 tetrahedra, and edges with six equivalent FPu4 tetrahedra. F1- is bonded to four equivalent Pu3+ atoms to form FPu4 tetrahedra that share corners with four equivalent OPu4 tetrahedra, corners with twelve equivalent FPu4 tetrahedra, and edges with six equivalent OPu4 tetrahedra.