Materials Data on UOF3 by Materials Project
UOF3 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. U5+ is bonded in a 7-coordinate geometry to three equivalent O2- and seven F1- atoms. All U–O bond lengths are 2.30 Å. There are a spread of U–F bond distances ranging from 2.04–2.74 Å. O2- is bonded in a 3-coordinate geometry to three equivalent U5+ and eight F1- atoms. There are a spread of O–F bond distances ranging from 2.31–2.81 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent U5+, two equivalent O2-, and six F1- atoms. There are three shorter (2.43 Å) and three longer (2.64 Å) F–F bond lengths. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent U5+, three equivalent O2-, and three equivalent F1- atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one U5+, three equivalent O2-, and three equivalent F1- atoms.