Materials Data on UF3 by Materials Project

Abstract

UF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.52 Å) and six longer (2.91 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent U3+ and four equivalent F1- atoms to form a mixture of corner, edge, and face-sharing FU4F4 tetrahedra. All F–F bond lengths are 2.52 Å. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent U3+ and eight equivalent F1- atoms.