Materials Data on PrOF by Materials Project

Abstract

PrOF is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Pr–O bond lengths are 2.47 Å. All Pr–F bond lengths are 2.47 Å. O2- is bonded to four equivalent Pr3+ atoms to form OPr4 tetrahedra that share corners with four equivalent FPr4 tetrahedra, corners with twelve equivalent OPr4 tetrahedra, and edges with six equivalent FPr4 tetrahedra. F1- is bonded to four equivalent Pr3+ atoms to form FPr4 tetrahedra that share corners with four equivalent OPr4 tetrahedra, corners with twelve equivalent FPr4 tetrahedra, and edges with six equivalent OPr4 tetrahedra.