U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1178064
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Co-Li-O; Li2(CoO2)3; crystal structure
- OSTI Identifier:
- 1672361
- DOI:
- https://doi.org/10.17188/1672361
Citation Formats
Materials Data on Li2(CoO2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672361.
Materials Data on Li2(CoO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1672361
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},
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}
}