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Title: Materials Data on Li4CO4 by Materials Project

Abstract

Li4CO4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.06–2.42 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.84–1.88 Å. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of C–O bond distances ranging from 1.40–1.47 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to four Li1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one C4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one C4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-549207
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; Li4CO4; C-Li-O
OSTI Identifier:
1267373
DOI:
10.17188/1267373

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li4CO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267373.
Persson, Kristin, & Project, Materials. Materials Data on Li4CO4 by Materials Project. United States. doi:10.17188/1267373.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li4CO4 by Materials Project". United States. doi:10.17188/1267373. https://www.osti.gov/servlets/purl/1267373. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1267373,
title = {Materials Data on Li4CO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li4CO4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.06–2.42 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.84–1.88 Å. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of C–O bond distances ranging from 1.40–1.47 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to four Li1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one C4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one C4+ atom.},
doi = {10.17188/1267373},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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