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Title: Materials Data on LiUO3 by Materials Project

Abstract

LiUO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with six equivalent UO5 square pyramids and corners with two equivalent LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–1.99 Å. U5+ is bonded to five O2- atoms to form UO5 square pyramids that share corners with six equivalent LiO4 tetrahedra and edges with two equivalent UO5 square pyramids. There are a spread of U–O bond distances ranging from 1.97–2.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent U5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent U5+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Li1+ and one U5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1181180
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; LiUO3; Li-O-U
OSTI Identifier:
1666595
DOI:
https://doi.org/10.17188/1666595

Citation Formats

The Materials Project. Materials Data on LiUO3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1666595.
The Materials Project. Materials Data on LiUO3 by Materials Project. United States. doi:https://doi.org/10.17188/1666595
The Materials Project. 2019. "Materials Data on LiUO3 by Materials Project". United States. doi:https://doi.org/10.17188/1666595. https://www.osti.gov/servlets/purl/1666595. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1666595,
title = {Materials Data on LiUO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiUO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with six equivalent UO5 square pyramids and corners with two equivalent LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–1.99 Å. U5+ is bonded to five O2- atoms to form UO5 square pyramids that share corners with six equivalent LiO4 tetrahedra and edges with two equivalent UO5 square pyramids. There are a spread of U–O bond distances ranging from 1.97–2.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent U5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent U5+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Li1+ and one U5+ atom.},
doi = {10.17188/1666595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}