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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TmF3 by Materials Project

TmF3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm3+ is bonded to twelve F1- atoms to form a mixture of corner, edge, and face-sharing TmF12 cuboctahedra. There are eight shorter (2.41 Å) and four longer (2.55 Å) Tm–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Tm3+ atoms to form a mixture of distorted corner and edge-sharing FTm4 tetrahedra. In the second F1- site, F1- is bonded in a distorted square co-planar geometry to four equivalent Tm3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmF3 by Materials Project

TmF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.38 Å) and six longer (2.75 Å) Tm–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Tm3+ and four equivalent F1- atoms to form a mixture of edge, corner, and face-sharing FTm4F4 tetrahedra. All F–F bond lengths are 2.38 Å. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent Tm3+ and eight equivalent F1- atoms.

36 MATERIALS SCIENCE↗