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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaOF by Materials Project

LaOF is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All La–O bond lengths are 2.50 Å. All La–F bond lengths are 2.50 Å. O2- is bonded to four equivalent La3+ atoms to form OLa4 tetrahedra that share corners with four equivalent FLa4 tetrahedra, corners with twelve equivalent OLa4 tetrahedra, and edges with six equivalent FLa4 tetrahedra. F1- is bonded to four equivalent La3+ atoms to form FLa4 tetrahedra that share corners with four equivalent OLa4 tetrahedra, corners with twelve equivalent FLa4 tetrahedra, and edges with six equivalent OLa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaOF by Materials Project

LaOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are one shorter (2.40 Å) and three longer (2.43 Å) La–O bond lengths. There are three shorter (2.59 Å) and one longer (2.65 Å) La–F bond lengths. O2- is bonded to four equivalent La3+ atoms to form OLa4 tetrahedra that share corners with six equivalent OLa4 tetrahedra, corners with ten equivalent FLa4 tetrahedra, edges with three equivalent OLa4 tetrahedra, and edges with three equivalent FLa4 tetrahedra. F1- is bonded to four equivalent La3+ atoms to form distorted FLa4 tetrahedra that share corners with six equivalent FLa4 tetrahedra, corners with ten equivalent OLa4 tetrahedra, edges with three equivalent OLa4 tetrahedra, and edges with three equivalent FLa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaOF by Materials Project

LaOF crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All La–O bond lengths are 2.40 Å. All La–F bond lengths are 2.64 Å. O2- is bonded to four equivalent La3+ atoms to form distorted OLa4 tetrahedra that share corners with four equivalent OLa4 tetrahedra, corners with twelve equivalent FLa4 tetrahedra, edges with two equivalent FLa4 tetrahedra, and edges with four equivalent OLa4 tetrahedra. F1- is bonded to four equivalent La3+ atoms to form distorted FLa4 tetrahedra that share corners with four equivalent FLa4 tetrahedra, corners with twelve equivalent OLa4 tetrahedra, edges with two equivalent OLa4 tetrahedra, and edges with four equivalent FLa4 tetrahedra.

36 MATERIALS SCIENCE↗