U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeF3 by Materials Project
Abstract
CeF3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Ce3+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Ce–F bond distances ranging from 2.37–2.94 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Ce3+ and one F1- atom. The F–F bond length is 2.54 Å. In the third F1- site, F1- is bonded to six equivalent Ce3+ and six equivalent F1- atoms to form face-sharing FCe6F6 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-22070
- 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-F; CeF3; crystal structure
- OSTI Identifier:
- 1197332
- DOI:
- https://doi.org/10.17188/1197332
Citation Formats
Materials Data on CeF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197332.
Materials Data on CeF3 by Materials Project. United States. doi:https://doi.org/10.17188/1197332
2020.
"Materials Data on CeF3 by Materials Project". United States. doi:https://doi.org/10.17188/1197332. https://www.osti.gov/servlets/purl/1197332. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1197332,
title = {Materials Data on CeF3 by Materials Project},
abstractNote = {CeF3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Ce3+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Ce–F bond distances ranging from 2.37–2.94 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Ce3+ and one F1- atom. The F–F bond length is 2.54 Å. In the third F1- site, F1- is bonded to six equivalent Ce3+ and six equivalent F1- atoms to form face-sharing FCe6F6 cuboctahedra.},
doi = {10.17188/1197332},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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