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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YF3 by Materials Project

YF3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.25–2.35 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Y3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Y3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YF3 by Materials Project

YF3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded in a distorted body-centered cubic geometry to ten F1- atoms. There are eight shorter (2.36 Å) and two longer (2.69 Å) Y–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent Y3+ and one F1- atom. The F–F bond length is 2.40 Å. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent Y3+ and eight equivalent F1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YF3 by Materials Project

YF3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Y–F bond distances ranging from 2.29–2.50 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Y3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Y3+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Y3+ atoms.

36 MATERIALS SCIENCE↗