U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li4Co3O7 by Materials Project
Abstract
Li4Co3O7 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Li4Co3O7 ribbon oriented in the (3, 8, 2) direction. there are five inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.62 Å. In the second Li1+ site, Li1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.70 Å) and one longer (1.79 Å) Li–O bond length. In the third Li1+ site, Li1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.72 Å) and one longer (1.77 Å) Li–O bond length. In the fourth Li1+ site, Li1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.51 Å) and one longer (1.64 Å) Li–O bond length. In the fifth Li1+ site, Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.70 Å. There are three inequivalent Co+3.33+ sites. In the first Co+3.33+ site, Co+3.33+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.56more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1174233
- 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; Li4Co3O7; Co-Li-O
- OSTI Identifier:
- 1708129
- DOI:
- https://doi.org/10.17188/1708129
Citation Formats
The Materials Project. Materials Data on Li4Co3O7 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1708129.
The Materials Project. Materials Data on Li4Co3O7 by Materials Project. United States. doi:https://doi.org/10.17188/1708129
The Materials Project. 2019.
"Materials Data on Li4Co3O7 by Materials Project". United States. doi:https://doi.org/10.17188/1708129. https://www.osti.gov/servlets/purl/1708129. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1708129,
title = {Materials Data on Li4Co3O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Li4Co3O7 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Li4Co3O7 ribbon oriented in the (3, 8, 2) direction. there are five inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.62 Å. In the second Li1+ site, Li1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.70 Å) and one longer (1.79 Å) Li–O bond length. In the third Li1+ site, Li1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.72 Å) and one longer (1.77 Å) Li–O bond length. In the fourth Li1+ site, Li1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.51 Å) and one longer (1.64 Å) Li–O bond length. In the fifth Li1+ site, Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.70 Å. There are three inequivalent Co+3.33+ sites. In the first Co+3.33+ site, Co+3.33+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.56 Å) and one longer (1.69 Å) Co–O bond length. In the second Co+3.33+ site, Co+3.33+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.52 Å) and one longer (1.60 Å) Co–O bond length. In the third Co+3.33+ site, Co+3.33+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.43 Å) and one longer (1.72 Å) Co–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one Co+3.33+ atom. In the second O2- site, O2- is bonded in a linear geometry to two Li1+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one Co+3.33+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one Li1+ and one Co+3.33+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to one Li1+ and one Co+3.33+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to one Li1+ and one Co+3.33+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one Li1+ and one Co+3.33+ atom.},
doi = {10.17188/1708129},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}