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Title: Materials Data on Li2(CoO2)3 by Materials Project

Abstract

Li2(CoO2)3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.03 Å. There are two inequivalent Co+3.33+ sites. In the first Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are two shorter (1.95 Å) and four longer (2.08 Å) Co–O bond lengths. In the second Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.92–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Co+3.33+ atoms. In the second O2- site, O2- is bonded to two equivalent Li1+ and three Co+3.33+ atoms to form a mixture of distorted edge and corner-sharing OLi2Co3 square pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1178064
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; Li2(CoO2)3; Co-Li-O
OSTI Identifier:
1672361
DOI:
https://doi.org/10.17188/1672361

Citation Formats

The Materials Project. Materials Data on Li2(CoO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672361.
The Materials Project. Materials Data on Li2(CoO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1672361
The Materials Project. 2020. "Materials Data on Li2(CoO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1672361. https://www.osti.gov/servlets/purl/1672361. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1672361,
title = {Materials Data on Li2(CoO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2(CoO2)3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.03 Å. There are two inequivalent Co+3.33+ sites. In the first Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are two shorter (1.95 Å) and four longer (2.08 Å) Co–O bond lengths. In the second Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.92–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Co+3.33+ atoms. In the second O2- site, O2- is bonded to two equivalent Li1+ and three Co+3.33+ atoms to form a mixture of distorted edge and corner-sharing OLi2Co3 square pyramids.},
doi = {10.17188/1672361},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}