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4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YOF by Materials Project

YOF crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Y–O bond lengths are 2.26 Å. All Y–F bond lengths are 2.51 Å. O2- is bonded to four equivalent Y3+ atoms to form distorted OY4 tetrahedra that share corners with four equivalent OY4 tetrahedra, corners with twelve equivalent FY4 tetrahedra, edges with two equivalent FY4 tetrahedra, and edges with four equivalent OY4 tetrahedra. F1- is bonded to four equivalent Y3+ atoms to form distorted FY4 tetrahedra that share corners with four equivalent FY4 tetrahedra, corners with twelve equivalent OY4 tetrahedra, edges with two equivalent OY4 tetrahedra, and edges with four equivalent FY4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YOF by Materials Project

YOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are three shorter (2.28 Å) and one longer (2.29 Å) Y–O bond lengths. There are three shorter (2.46 Å) and one longer (2.47 Å) Y–F bond lengths. O2- is bonded to four equivalent Y3+ atoms to form distorted OY4 tetrahedra that share corners with six equivalent OY4 tetrahedra, corners with ten equivalent FY4 tetrahedra, edges with three equivalent OY4 tetrahedra, and edges with three equivalent FY4 tetrahedra. F1- is bonded to four equivalent Y3+ atoms to form distorted FY4 tetrahedra that share corners with six equivalent FY4 tetrahedra, corners with ten equivalent OY4 tetrahedra, edges with three equivalent OY4 tetrahedra, and edges with three equivalent FY4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YOF by Materials Project

YOF is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Y–O bond lengths are 2.36 Å. All Y–F bond lengths are 2.36 Å. O2- is bonded to four equivalent Y3+ atoms to form OY4 tetrahedra that share corners with four equivalent FY4 tetrahedra, corners with twelve equivalent OY4 tetrahedra, and edges with six equivalent FY4 tetrahedra. F1- is bonded to four equivalent Y3+ atoms to form FY4 tetrahedra that share corners with four equivalent OY4 tetrahedra, corners with twelve equivalent FY4 tetrahedra, and edges with six equivalent OY4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YOF by Materials Project

YOF crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent F1- atoms. There are a spread of Y–O bond distances ranging from 2.10–2.42 Å. There are a spread of Y–F bond distances ranging from 2.28–2.65 Å. O2- is bonded in a 4-coordinate geometry to four equivalent Y3+ and three equivalent F1- atoms. There are one shorter (2.43 Å) and two longer (2.59 Å) O–F bond lengths. F1- is bonded in a 3-coordinate geometry to four equivalent Y3+ and three equivalent O2- atoms.

36 MATERIALS SCIENCE↗