U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CePr4O10 by Materials Project
Abstract
Pr4CeO10 is Fluorite-derived structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Pr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.46–2.49 Å. Ce4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ce–O bond lengths are 2.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Pr4+ and one Ce4+ atom to form a mixture of edge and corner-sharing OCePr3 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Pr4+ atoms to form OPr4 tetrahedra that share corners with sixteen equivalent OCePr3 tetrahedra and edges with six OPr4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1226557
- 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-Pr; CePr4O10; crystal structure
- OSTI Identifier:
- 1749407
- DOI:
- https://doi.org/10.17188/1749407
Citation Formats
Materials Data on CePr4O10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1749407.
Materials Data on CePr4O10 by Materials Project. United States. doi:https://doi.org/10.17188/1749407
2020.
"Materials Data on CePr4O10 by Materials Project". United States. doi:https://doi.org/10.17188/1749407. https://www.osti.gov/servlets/purl/1749407. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1749407,
title = {Materials Data on CePr4O10 by Materials Project},
abstractNote = {Pr4CeO10 is Fluorite-derived structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Pr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.46–2.49 Å. Ce4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ce–O bond lengths are 2.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Pr4+ and one Ce4+ atom to form a mixture of edge and corner-sharing OCePr3 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Pr4+ atoms to form OPr4 tetrahedra that share corners with sixteen equivalent OCePr3 tetrahedra and edges with six OPr4 tetrahedra.},
doi = {10.17188/1749407},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}