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Title: Materials Data on Li2UBr6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1689144· OSTI ID:1689144

Li2UBr6 is trigonal omega-derived structured and crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of two Li2UBr6 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded to six Br1- atoms to form LiBr6 octahedra that share edges with three equivalent LiBr6 octahedra and edges with three equivalent UBr6 octahedra. All Li–Br bond lengths are 2.80 Å. U4+ is bonded to six Br1- atoms to form UBr6 octahedra that share edges with six equivalent LiBr6 octahedra. There are two shorter (2.79 Å) and four longer (2.82 Å) U–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one U4+ atom. In the second Br1- site, Br1- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one U4+ 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:
1689144
Report Number(s):
mp-1223047
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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