Materials Data on UF3 by Materials Project

Dataset · Fri Jul 24 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1310556· OSTI ID:1310556

The Materials Project

UF3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U3+ is bonded to twelve F1- atoms to form a mixture of corner, edge, and face-sharing UF12 cuboctahedra. There are eight shorter (2.55 Å) and four longer (2.63 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to four equivalent U3+ atoms. In the second F1- site, F1- is bonded in a distorted square co-planar geometry to four equivalent U3+ atoms.

• 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: 1310556
• Report Number(s): mp-865239
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
UF3
F-U