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Title: Materials Data on Cs2Li4UO6 by Materials Project

Abstract

Cs2Li4UO6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to three equivalent O2- atoms. All Cs–O bond lengths are 2.87 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.17 Å. In the second Li1+ site, Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 octahedra that share faces with two equivalent UO6 octahedra. All Li–O bond lengths are 2.50 Å. U6+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share faces with two equivalent LiO6 octahedra. All U–O bond lengths are 2.09 Å. O2- is bonded in a 5-coordinate geometry to one Cs1+, three Li1+, and one U6+ atom.

Publication Date:
Other Number(s):
mp-1213708
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cs2Li4UO6; Cs-Li-O-U
OSTI Identifier:
1665589
DOI:
https://doi.org/10.17188/1665589

Citation Formats

The Materials Project. Materials Data on Cs2Li4UO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1665589.
The Materials Project. Materials Data on Cs2Li4UO6 by Materials Project. United States. doi:https://doi.org/10.17188/1665589
The Materials Project. 2019. "Materials Data on Cs2Li4UO6 by Materials Project". United States. doi:https://doi.org/10.17188/1665589. https://www.osti.gov/servlets/purl/1665589. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1665589,
title = {Materials Data on Cs2Li4UO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Li4UO6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to three equivalent O2- atoms. All Cs–O bond lengths are 2.87 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.17 Å. In the second Li1+ site, Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 octahedra that share faces with two equivalent UO6 octahedra. All Li–O bond lengths are 2.50 Å. U6+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share faces with two equivalent LiO6 octahedra. All U–O bond lengths are 2.09 Å. O2- is bonded in a 5-coordinate geometry to one Cs1+, three Li1+, and one U6+ atom.},
doi = {10.17188/1665589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}