U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li3(CoO2)4 by Materials Project
Abstract
Li2O2LiCoO2(CoO)2Lix0CoO2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one cobalt dihydroxide molecule; one CoO ribbon oriented in the (0, 1, 1) direction; one Li2O2 ribbon oriented in the (0, 1, 1) direction; and one LiCoO2 ribbon oriented in the (0, 1, 1) direction. In the CoO ribbon, there are two inequivalent Co+3.25+ sites. In the first Co+3.25+ site, Co+3.25+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Co–O bond lengths are 1.63 Å. In the second Co+3.25+ site, Co+3.25+ is bonded in a linear geometry to two equivalent O2- atoms. Both Co–O bond lengths are 1.34 Å. O2- is bonded in a 2-coordinate geometry to two Co+3.25+ atoms. In the Li2O2 ribbon, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.63 Å) and one longer (1.64 Å) Li–O bond length. In the second Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.38 Å) and one longer (1.39 Å) Li–O bond length. There are two inequivalent O2- sites. In the firstmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-764781
- 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; Li3(CoO2)4; Co-Li-O
- OSTI Identifier:
- 1295291
- DOI:
- https://doi.org/10.17188/1295291
Citation Formats
The Materials Project. Materials Data on Li3(CoO2)4 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1295291.
The Materials Project. Materials Data on Li3(CoO2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1295291
The Materials Project. 2014.
"Materials Data on Li3(CoO2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1295291. https://www.osti.gov/servlets/purl/1295291. Pub date:Fri Feb 14 00:00:00 EST 2014
@article{osti_1295291,
title = {Materials Data on Li3(CoO2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2O2LiCoO2(CoO)2Lix0CoO2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one cobalt dihydroxide molecule; one CoO ribbon oriented in the (0, 1, 1) direction; one Li2O2 ribbon oriented in the (0, 1, 1) direction; and one LiCoO2 ribbon oriented in the (0, 1, 1) direction. In the CoO ribbon, there are two inequivalent Co+3.25+ sites. In the first Co+3.25+ site, Co+3.25+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Co–O bond lengths are 1.63 Å. In the second Co+3.25+ site, Co+3.25+ is bonded in a linear geometry to two equivalent O2- atoms. Both Co–O bond lengths are 1.34 Å. O2- is bonded in a 2-coordinate geometry to two Co+3.25+ atoms. In the Li2O2 ribbon, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.63 Å) and one longer (1.64 Å) Li–O bond length. In the second Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.38 Å) and one longer (1.39 Å) Li–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Li1+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Li1+ atoms. In the LiCoO2 ribbon, Li1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.61 Å) and one longer (1.69 Å) Li–O bond length. Co+3.25+ is bonded in a distorted linear geometry to two O2- atoms. Both Co–O bond lengths are 1.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Li1+ and one Co+3.25+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Li1+ and one Co+3.25+ atom.},
doi = {10.17188/1295291},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}