U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce2O3 by Materials Project
Abstract
Ce2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ce3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.31–2.67 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ce3+ atoms to form OCe4 tetrahedra that share corners with six equivalent OCe6 octahedra, corners with six equivalent OCe4 tetrahedra, edges with three equivalent OCe6 octahedra, and edges with three equivalent OCe4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–56°. In the second O2- site, O2- is bonded to six equivalent Ce3+ atoms to form OCe6 octahedra that share corners with twelve equivalent OCe4 tetrahedra, edges with six equivalent OCe6 octahedra, and edges with six equivalent OCe4 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-2721
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ce2O3; Ce-O
- OSTI Identifier:
- 1201414
- DOI:
- https://doi.org/10.17188/1201414
Citation Formats
The Materials Project. Materials Data on Ce2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1201414.
The Materials Project. Materials Data on Ce2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1201414
The Materials Project. 2020.
"Materials Data on Ce2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1201414. https://www.osti.gov/servlets/purl/1201414. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1201414,
title = {Materials Data on Ce2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ce3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.31–2.67 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ce3+ atoms to form OCe4 tetrahedra that share corners with six equivalent OCe6 octahedra, corners with six equivalent OCe4 tetrahedra, edges with three equivalent OCe6 octahedra, and edges with three equivalent OCe4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–56°. In the second O2- site, O2- is bonded to six equivalent Ce3+ atoms to form OCe6 octahedra that share corners with twelve equivalent OCe4 tetrahedra, edges with six equivalent OCe6 octahedra, and edges with six equivalent OCe4 tetrahedra.},
doi = {10.17188/1201414},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}