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Title: Materials Data on Li2UBr6 by Materials Project

Abstract

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.

Authors:
Publication Date:
Other Number(s):
mp-1223047
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Li2UBr6; Br-Li-U
OSTI Identifier:
1689144
DOI:
https://doi.org/10.17188/1689144

Citation Formats

The Materials Project. Materials Data on Li2UBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689144.
The Materials Project. Materials Data on Li2UBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1689144
The Materials Project. 2020. "Materials Data on Li2UBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1689144. https://www.osti.gov/servlets/purl/1689144. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1689144,
title = {Materials Data on Li2UBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1689144},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}