U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CePrO2 by Materials Project
Abstract
PrCeO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pr is bonded to six O atoms to form PrO6 octahedra that share corners with two equivalent CeO6 octahedra, corners with four equivalent PrO6 octahedra, edges with four equivalent PrO6 octahedra, and edges with eight equivalent CeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.52 Å) and two longer (2.54 Å) Pr–O bond lengths. Ce is bonded to six O atoms to form CeO6 octahedra that share corners with two equivalent PrO6 octahedra, corners with four equivalent CeO6 octahedra, edges with four equivalent CeO6 octahedra, and edges with eight equivalent PrO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.50 Å) and four longer (2.52 Å) Ce–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded to three equivalent Pr and three equivalent Ce atoms to form a mixture of corner and edge-sharing OCe3Pr3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O site, O is bonded to three equivalent Pr and three equivalent Ce atoms to form a mixture of cornermore »
- Publication Date:
- Other Number(s):
- mp-755658
- 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; CePrO2; crystal structure
- OSTI Identifier:
- 1290147
- DOI:
- https://doi.org/10.17188/1290147
Citation Formats
Materials Data on CePrO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290147.
Materials Data on CePrO2 by Materials Project. United States. doi:https://doi.org/10.17188/1290147
2020.
"Materials Data on CePrO2 by Materials Project". United States. doi:https://doi.org/10.17188/1290147. https://www.osti.gov/servlets/purl/1290147. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1290147,
title = {Materials Data on CePrO2 by Materials Project},
abstractNote = {PrCeO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pr is bonded to six O atoms to form PrO6 octahedra that share corners with two equivalent CeO6 octahedra, corners with four equivalent PrO6 octahedra, edges with four equivalent PrO6 octahedra, and edges with eight equivalent CeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.52 Å) and two longer (2.54 Å) Pr–O bond lengths. Ce is bonded to six O atoms to form CeO6 octahedra that share corners with two equivalent PrO6 octahedra, corners with four equivalent CeO6 octahedra, edges with four equivalent CeO6 octahedra, and edges with eight equivalent PrO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.50 Å) and four longer (2.52 Å) Ce–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded to three equivalent Pr and three equivalent Ce atoms to form a mixture of corner and edge-sharing OCe3Pr3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O site, O is bonded to three equivalent Pr and three equivalent Ce atoms to form a mixture of corner and edge-sharing OCe3Pr3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the third O site, O is bonded to three equivalent Pr and three equivalent Ce atoms to form a mixture of corner and edge-sharing OCe3Pr3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are one shorter (2.50 Å) and two longer (2.52 Å) O–Ce bond lengths.},
doi = {10.17188/1290147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}