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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Materials Data on LuF3 by Materials Project

LuF3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Lu–F bond distances ranging from 2.11–2.32 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Lu3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Lu3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuF3 by Materials Project

LuF3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Lu3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Lu–F bond distances ranging from 2.23–2.45 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Lu3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Lu3+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Lu3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuF3 by Materials Project

LuF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.37 Å) and six longer (2.74 Å) Lu–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Lu3+ and four equivalent F1- atoms to form a mixture of edge, face, and corner-sharing FLu4F4 tetrahedra. All F–F bond lengths are 2.37 Å. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent Lu3+ and eight equivalent F1- atoms.

36 MATERIALS SCIENCE↗