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Title: Materials Data on UBr4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1201371· OSTI ID:1201371

UBr4 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one UBr4 sheet oriented in the (0, 0, 1) direction. U4+ is bonded to seven Br1- atoms to form edge-sharing UBr7 pentagonal bipyramids. There are a spread of U–Br bond distances ranging from 2.66–3.03 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one U4+ atom. In the second Br1- site, Br1- is bonded in a water-like geometry to two equivalent U4+ atoms. In the third Br1- site, Br1- is bonded in a water-like geometry to two equivalent U4+ 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:
1201371
Report Number(s):
mp-27153
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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