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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrF3 by Materials Project

PrF3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Pr3+ is bonded in a 4-coordinate geometry to twelve F1- atoms. There are a spread of Pr–F bond distances ranging from 2.39–2.96 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Pr3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Pr3+ and one F1- atom. The F–F bond length is 2.53 Å. In the third F1- site, F1- is bonded to six equivalent Pr3+ and six equivalent F1- atoms to form face-sharing FPr6F6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrF3 by Materials Project

PrF3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Pr–F bond distances ranging from 2.40–2.60 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Pr3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Pr3+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Pr3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrF3 by Materials Project

PrF3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Pr3+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Pr–F bond distances ranging from 2.39–2.96 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Pr3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Pr3+ and one F1- atom. The F–F bond length is 2.54 Å. In the third F1- site, F1- is bonded to six equivalent Pr3+ and six equivalent F1- atoms to form face-sharing FPr6F6 cuboctahedra.

36 MATERIALS SCIENCE↗