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Title: Materials Data on LiCO2 by Materials Project

Abstract

LiCO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.98–2.63 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Li1+ and one C3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one C3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1190287
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; LiCO2; C-Li-O
OSTI Identifier:
1666830
DOI:
https://doi.org/10.17188/1666830

Citation Formats

The Materials Project. Materials Data on LiCO2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1666830.
The Materials Project. Materials Data on LiCO2 by Materials Project. United States. doi:https://doi.org/10.17188/1666830
The Materials Project. 2019. "Materials Data on LiCO2 by Materials Project". United States. doi:https://doi.org/10.17188/1666830. https://www.osti.gov/servlets/purl/1666830. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1666830,
title = {Materials Data on LiCO2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.98–2.63 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Li1+ and one C3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one C3+ atom.},
doi = {10.17188/1666830},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}