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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on UF5 by Materials Project

UF5 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two UF5 ribbons oriented in the (0, 0, 1) direction. U5+ is bonded to six F1- atoms to form corner-sharing UF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.03 Å) and two longer (2.27 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent U5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UF5 by Materials Project

UF5 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U5+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of U–F bond distances ranging from 2.02–2.36 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent U5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent U5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UF5 by Materials Project

UF5 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U5+ is bonded to seven F1- atoms to form corner-sharing UF7 pentagonal bipyramids. There are a spread of U–F bond distances ranging from 2.01–2.34 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent U5+ atoms.

36 MATERIALS SCIENCE↗