U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce3UO8 by Materials Project
Abstract
UCe3O8 is alpha bismuth trifluoride-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U6+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.15 Å) and six longer (2.33 Å) U–O bond lengths. There are two inequivalent Ce+3.33+ sites. In the first Ce+3.33+ site, Ce+3.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.32–2.48 Å. In the second Ce+3.33+ site, Ce+3.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.38 Å) and two longer (2.44 Å) Ce–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ce+3.33+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to one U6+ and three equivalent Ce+3.33+ atoms to form OCe3U tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCeU3 tetrahedra. In the third O2- site, O2- is bonded to three equivalent U6+ and one Ce+3.33+ atom to form OCeU3 tetrahedra that share corners with sixteen OCe4 tetrahedra and edgesmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1226924
- 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; Ce3UO8; Ce-O-U
- OSTI Identifier:
- 1711508
- DOI:
- https://doi.org/10.17188/1711508
Citation Formats
The Materials Project. Materials Data on Ce3UO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711508.
The Materials Project. Materials Data on Ce3UO8 by Materials Project. United States. doi:https://doi.org/10.17188/1711508
The Materials Project. 2020.
"Materials Data on Ce3UO8 by Materials Project". United States. doi:https://doi.org/10.17188/1711508. https://www.osti.gov/servlets/purl/1711508. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1711508,
title = {Materials Data on Ce3UO8 by Materials Project},
author = {The Materials Project},
abstractNote = {UCe3O8 is alpha bismuth trifluoride-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U6+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.15 Å) and six longer (2.33 Å) U–O bond lengths. There are two inequivalent Ce+3.33+ sites. In the first Ce+3.33+ site, Ce+3.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.32–2.48 Å. In the second Ce+3.33+ site, Ce+3.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.38 Å) and two longer (2.44 Å) Ce–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ce+3.33+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to one U6+ and three equivalent Ce+3.33+ atoms to form OCe3U tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCeU3 tetrahedra. In the third O2- site, O2- is bonded to three equivalent U6+ and one Ce+3.33+ atom to form OCeU3 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe3U tetrahedra. In the fourth O2- site, O2- is bonded to four Ce+3.33+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.},
doi = {10.17188/1711508},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}