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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrOF by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrOF by Materials Project

PrOF crystallizes in the trigonal R-3m 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 2.40 Å. There are three shorter (2.56 Å) and one longer (2.60 Å) Pr–F bond lengths. O2- is bonded to four equivalent Pr3+ atoms to form distorted OPr4 tetrahedra that share corners with six equivalent OPr4 tetrahedra, corners with ten equivalent FPr4 tetrahedra, edges with three equivalent OPr4 tetrahedra, and edges with three equivalent FPr4 tetrahedra. F1- is bonded to four equivalent Pr3+ atoms to form distorted FPr4 tetrahedra that share corners with six equivalent FPr4 tetrahedra, corners with ten equivalent OPr4 tetrahedra, edges with three equivalent OPr4 tetrahedra, and edges with three equivalent FPr4 tetrahedra.

36 MATERIALS SCIENCE↗