U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiCeSi2 by Materials Project
Abstract
LiCeSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Li–Si bond distances ranging from 2.57–2.64 Å. Ce is bonded in a 6-coordinate geometry to nine Si atoms. There are a spread of Ce–Si bond distances ranging from 3.05–3.31 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Li, four equivalent Ce, and two equivalent Si atoms. Both Si–Si bond lengths are 2.39 Å. In the second Si site, Si is bonded in a 1-coordinate geometry to two equivalent Li, five equivalent Ce, and two equivalent Si atoms.
- Publication Date:
- Other Number(s):
- mp-1106082
- 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; Ce-Li-Si; LiCeSi2; crystal structure
- OSTI Identifier:
- 1704918
- DOI:
- https://doi.org/10.17188/1704918
Citation Formats
Materials Data on LiCeSi2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1704918.
Materials Data on LiCeSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1704918
2020.
"Materials Data on LiCeSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1704918. https://www.osti.gov/servlets/purl/1704918. Pub date:Fri May 01 04:00:00 UTC 2020
@article{osti_1704918,
title = {Materials Data on LiCeSi2 by Materials Project},
abstractNote = {LiCeSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Li–Si bond distances ranging from 2.57–2.64 Å. Ce is bonded in a 6-coordinate geometry to nine Si atoms. There are a spread of Ce–Si bond distances ranging from 3.05–3.31 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Li, four equivalent Ce, and two equivalent Si atoms. Both Si–Si bond lengths are 2.39 Å. In the second Si site, Si is bonded in a 1-coordinate geometry to two equivalent Li, five equivalent Ce, and two equivalent Si atoms.},
doi = {10.17188/1704918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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