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.