U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li3CuO2 by Materials Project
Abstract
Li3CuO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted bent 120 degrees geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.85–2.43 Å. In the second Li1+ site, Li1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.91–2.04 Å. In the third Li1+ site, Li1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 2.00–2.26 Å. Cu1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one Cu1+ atom.
- Publication Date:
- Other Number(s):
- mp-756495
- 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; Cu-Li-O; Li3CuO2; crystal structure
- OSTI Identifier:
- 1290534
- DOI:
- https://doi.org/10.17188/1290534
Citation Formats
Materials Data on Li3CuO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290534.
Materials Data on Li3CuO2 by Materials Project. United States. doi:https://doi.org/10.17188/1290534
2020.
"Materials Data on Li3CuO2 by Materials Project". United States. doi:https://doi.org/10.17188/1290534. https://www.osti.gov/servlets/purl/1290534. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1290534,
title = {Materials Data on Li3CuO2 by Materials Project},
abstractNote = {Li3CuO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted bent 120 degrees geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.85–2.43 Å. In the second Li1+ site, Li1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.91–2.04 Å. In the third Li1+ site, Li1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 2.00–2.26 Å. Cu1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one Cu1+ atom.},
doi = {10.17188/1290534},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}