U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2CaSi by Materials Project
Abstract
Li2CaSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Ca2+ and four equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing LiCa4Si4 tetrahedra. All Li–Ca bond lengths are 2.84 Å. All Li–Si bond lengths are 2.84 Å. Ca2+ is bonded in a 6-coordinate geometry to eight equivalent Li1+ and six equivalent Si4- atoms. All Ca–Si bond lengths are 3.28 Å. Si4- is bonded in a distorted body-centered cubic geometry to eight equivalent Li1+ and six equivalent Ca2+ atoms.
- Publication Date:
- Other Number(s):
- mp-865965
- 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; Ca-Li-Si; Li2CaSi; crystal structure
- OSTI Identifier:
- 1311137
- DOI:
- https://doi.org/10.17188/1311137
Citation Formats
Materials Data on Li2CaSi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1311137.
Materials Data on Li2CaSi by Materials Project. United States. doi:https://doi.org/10.17188/1311137
2020.
"Materials Data on Li2CaSi by Materials Project". United States. doi:https://doi.org/10.17188/1311137. https://www.osti.gov/servlets/purl/1311137. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1311137,
title = {Materials Data on Li2CaSi by Materials Project},
abstractNote = {Li2CaSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Ca2+ and four equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing LiCa4Si4 tetrahedra. All Li–Ca bond lengths are 2.84 Å. All Li–Si bond lengths are 2.84 Å. Ca2+ is bonded in a 6-coordinate geometry to eight equivalent Li1+ and six equivalent Si4- atoms. All Ca–Si bond lengths are 3.28 Å. Si4- is bonded in a distorted body-centered cubic geometry to eight equivalent Li1+ and six equivalent Ca2+ atoms.},
doi = {10.17188/1311137},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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