Materials Data on CePr2O6 by Materials Project
Abstract
Pr2CeO6 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.45 Å) and four longer (2.50 Å) Pr–O bond lengths. Ce4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ce–O bond lengths are 2.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Pr4+ and two equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OCe2Pr2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Pr4+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1226529
- 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; CePr2O6; Ce-O-Pr
- OSTI Identifier:
- 1753172
- DOI:
- https://doi.org/10.17188/1753172
Citation Formats
The Materials Project. Materials Data on CePr2O6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1753172.
The Materials Project. Materials Data on CePr2O6 by Materials Project. United States. doi:https://doi.org/10.17188/1753172
The Materials Project. 2020.
"Materials Data on CePr2O6 by Materials Project". United States. doi:https://doi.org/10.17188/1753172. https://www.osti.gov/servlets/purl/1753172. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1753172,
title = {Materials Data on CePr2O6 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2CeO6 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.45 Å) and four longer (2.50 Å) Pr–O bond lengths. Ce4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ce–O bond lengths are 2.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Pr4+ and two equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OCe2Pr2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Pr4+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra.},
doi = {10.17188/1753172},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue May 05 00:00:00 EDT 2020},
month = {Tue May 05 00:00:00 EDT 2020}
}
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