U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeO2 by Materials Project
Abstract
CeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ce4+ is bonded in a distorted trigonal planar geometry to nine O2- atoms. There are a spread of Ce–O bond distances ranging from 2.21–2.67 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ce4+ atoms. In the second O2- site, O2- is bonded to six equivalent Ce4+ atoms to form a mixture of edge, corner, and face-sharing OCe6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the third O2- site, O2- is bonded to six equivalent Ce4+ atoms to form a mixture of edge, corner, and face-sharing OCe6 octahedra. The corner-sharing octahedral tilt angles are 49°.
- Publication Date:
- Other Number(s):
- mp-1018659
- 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-O; CeO2; crystal structure
- OSTI Identifier:
- 1350439
- DOI:
- https://doi.org/10.17188/1350439
Citation Formats
Materials Data on CeO2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1350439.
Materials Data on CeO2 by Materials Project. United States. doi:https://doi.org/10.17188/1350439
2017.
"Materials Data on CeO2 by Materials Project". United States. doi:https://doi.org/10.17188/1350439. https://www.osti.gov/servlets/purl/1350439. Pub date:Thu Jul 20 20:00:00 EDT 2017
@article{osti_1350439,
title = {Materials Data on CeO2 by Materials Project},
abstractNote = {CeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ce4+ is bonded in a distorted trigonal planar geometry to nine O2- atoms. There are a spread of Ce–O bond distances ranging from 2.21–2.67 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ce4+ atoms. In the second O2- site, O2- is bonded to six equivalent Ce4+ atoms to form a mixture of edge, corner, and face-sharing OCe6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the third O2- site, O2- is bonded to six equivalent Ce4+ atoms to form a mixture of edge, corner, and face-sharing OCe6 octahedra. The corner-sharing octahedral tilt angles are 49°.},
doi = {10.17188/1350439},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}