U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce3Th4O14 by Materials Project
Abstract
Th4Ce3O14 is Fluorite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Th–O bond lengths are 2.42 Å. In the second Th4+ site, Th4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.41 Å) and six longer (2.42 Å) Th–O bond lengths. There are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Ce–O bond lengths are 2.39 Å. In the second Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Ce–O bond lengths are 2.39 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Th4+ and one Ce4+ atom to form a mixture of edge and corner-sharing OCeTh3 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Th4+ and two Ce4+ atoms to form a mixture of edge and corner-sharing OCe2Th2 tetrahedra. In the third O2- site, O2- is bonded to two Th4+ andmore »
- Publication Date:
- Other Number(s):
- mp-766570
- 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; Ce3Th4O14; crystal structure
- OSTI Identifier:
- 1296942
- DOI:
- https://doi.org/10.17188/1296942
Citation Formats
Materials Data on Ce3Th4O14 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1296942.
Materials Data on Ce3Th4O14 by Materials Project. United States. doi:https://doi.org/10.17188/1296942
2020.
"Materials Data on Ce3Th4O14 by Materials Project". United States. doi:https://doi.org/10.17188/1296942. https://www.osti.gov/servlets/purl/1296942. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1296942,
title = {Materials Data on Ce3Th4O14 by Materials Project},
abstractNote = {Th4Ce3O14 is Fluorite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Th–O bond lengths are 2.42 Å. In the second Th4+ site, Th4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.41 Å) and six longer (2.42 Å) Th–O bond lengths. There are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Ce–O bond lengths are 2.39 Å. In the second Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Ce–O bond lengths are 2.39 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Th4+ and one Ce4+ atom to form a mixture of edge and corner-sharing OCeTh3 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Th4+ and two Ce4+ atoms to form a mixture of edge and corner-sharing OCe2Th2 tetrahedra. In the third O2- site, O2- is bonded to two Th4+ and two Ce4+ atoms to form a mixture of edge and corner-sharing OCe2Th2 tetrahedra. In the fourth 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.},
doi = {10.17188/1296942},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}