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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on UOF4 by Materials Project

UOF4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U6+ is bonded to one O2- and six F1- atoms to form distorted corner-sharing UOF6 pentagonal bipyramids. The U–O bond length is 1.82 Å. There are a spread of U–F bond distances ranging from 2.03–2.51 Å. O2- is bonded in a single-bond geometry to one U6+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent U6+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one U6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UOF4 by Materials Project

UOF4 crystallizes in the trigonal R3m space group. The structure is three-dimensional. U6+ is bonded to one O2- and six F1- atoms to form corner-sharing UOF6 pentagonal bipyramids. The U–O bond length is 1.80 Å. There are a spread of U–F bond distances ranging from 1.97–2.32 Å. O2- is bonded in a single-bond geometry to one U6+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U6+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one U6+ atom.

36 MATERIALS SCIENCE↗