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Title: Materials Data on Li2CoO3 by Materials Project

Abstract

Li2CoO3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.55 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.05 Å. Co4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.72–1.89 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Li1+ and two equivalent Co4+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Li1+ and one Co4+ atom. In the third O2- site, O2- is bonded to three Li1+ and one Co4+ atom to form corner-sharing OLi3Co trigonal pyramids.

Publication Date:
Other Number(s):
mp-773514
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; Li2CoO3; Co-Li-O
OSTI Identifier:
1301927
DOI:
10.17188/1301927

Citation Formats

The Materials Project. Materials Data on Li2CoO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301927.
The Materials Project. Materials Data on Li2CoO3 by Materials Project. United States. doi:10.17188/1301927.
The Materials Project. 2020. "Materials Data on Li2CoO3 by Materials Project". United States. doi:10.17188/1301927. https://www.osti.gov/servlets/purl/1301927. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1301927,
title = {Materials Data on Li2CoO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2CoO3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.55 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.05 Å. Co4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.72–1.89 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Li1+ and two equivalent Co4+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Li1+ and one Co4+ atom. In the third O2- site, O2- is bonded to three Li1+ and one Co4+ atom to form corner-sharing OLi3Co trigonal pyramids.},
doi = {10.17188/1301927},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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