U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li4CO4 by Materials Project
Abstract
Li4CO4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.09 Å. In the second Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.88–2.15 Å. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.41 Å) and two longer (1.43 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one C4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-550320
- 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; Li4CO4; C-Li-O
- OSTI Identifier:
- 1267414
- DOI:
- https://doi.org/10.17188/1267414
Citation Formats
The Materials Project. Materials Data on Li4CO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267414.
The Materials Project. Materials Data on Li4CO4 by Materials Project. United States. doi:https://doi.org/10.17188/1267414
The Materials Project. 2020.
"Materials Data on Li4CO4 by Materials Project". United States. doi:https://doi.org/10.17188/1267414. https://www.osti.gov/servlets/purl/1267414. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1267414,
title = {Materials Data on Li4CO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li4CO4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.09 Å. In the second Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.88–2.15 Å. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.41 Å) and two longer (1.43 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one C4+ atom.},
doi = {10.17188/1267414},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue May 05 00:00:00 EDT 2020},
month = {Tue May 05 00:00:00 EDT 2020}
}