U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce2ThO6 by Materials Project
Abstract
ThCe2O6 is Fluorite-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Th–O bond lengths are 2.41 Å. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.37 Å) and six longer (2.39 Å) Ce–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Th4+ and two equivalent Ce4+ atoms to form a mixture of edge and corner-sharing OCe2Th2 tetrahedra. In the second O2- site, O2- is bonded to one Th4+ and three equivalent Ce4+ atoms to form a mixture of edge and corner-sharing OCe3Th tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1226807
- 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-Th; Ce2ThO6; crystal structure
- OSTI Identifier:
- 1739052
- DOI:
- https://doi.org/10.17188/1739052
Citation Formats
Materials Data on Ce2ThO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1739052.
Materials Data on Ce2ThO6 by Materials Project. United States. doi:https://doi.org/10.17188/1739052
2020.
"Materials Data on Ce2ThO6 by Materials Project". United States. doi:https://doi.org/10.17188/1739052. https://www.osti.gov/servlets/purl/1739052. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1739052,
title = {Materials Data on Ce2ThO6 by Materials Project},
abstractNote = {ThCe2O6 is Fluorite-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Th–O bond lengths are 2.41 Å. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.37 Å) and six longer (2.39 Å) Ce–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Th4+ and two equivalent Ce4+ atoms to form a mixture of edge and corner-sharing OCe2Th2 tetrahedra. In the second O2- site, O2- is bonded to one Th4+ and three equivalent Ce4+ atoms to form a mixture of edge and corner-sharing OCe3Th tetrahedra.},
doi = {10.17188/1739052},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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