Materials Data on UOF4 by Materials Project

Dataset · Tue Jul 14 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1271018· OSTI ID:1271018

The 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.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1271018
• Report Number(s): mp-559734
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
UOF4
F-O-U