U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li4CO4 by Materials Project
Abstract
Li4CO4 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.05 Å) and three longer (2.26 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.99–2.34 Å. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.43 Å) and one longer (1.45 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six Li1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six equivalent Li1+ and one C4+ atom.
- Publication Date:
- Other Number(s):
- mp-550593
- 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; C-Li-O; Li4CO4; crystal structure
- OSTI Identifier:
- 1267430
- DOI:
- https://doi.org/10.17188/1267430
Citation Formats
Materials Data on Li4CO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267430.
Materials Data on Li4CO4 by Materials Project. United States. doi:https://doi.org/10.17188/1267430
2020.
"Materials Data on Li4CO4 by Materials Project". United States. doi:https://doi.org/10.17188/1267430. https://www.osti.gov/servlets/purl/1267430. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1267430,
title = {Materials Data on Li4CO4 by Materials Project},
abstractNote = {Li4CO4 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.05 Å) and three longer (2.26 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.99–2.34 Å. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.43 Å) and one longer (1.45 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six Li1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six equivalent Li1+ and one C4+ atom.},
doi = {10.17188/1267430},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}