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Title: Materials Data on Ce2PrO6 by Materials Project

Abstract

PrCe2O6 is Fluorite-derived structured and crystallizes in the orthorhombic Immm 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 (2.47 Å) Pr–O bond lengths. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.37 Å) and four longer (2.38 Å) Ce–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Pr4+ and three equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OCe3Pr tetrahedra. In the second 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.

Authors:
Publication Date:
Other Number(s):
mp-1226790
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; Ce2PrO6; Ce-O-Pr
OSTI Identifier:
1708016
DOI:
https://doi.org/10.17188/1708016

Citation Formats

The Materials Project. Materials Data on Ce2PrO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708016.
The Materials Project. Materials Data on Ce2PrO6 by Materials Project. United States. doi:https://doi.org/10.17188/1708016
The Materials Project. 2020. "Materials Data on Ce2PrO6 by Materials Project". United States. doi:https://doi.org/10.17188/1708016. https://www.osti.gov/servlets/purl/1708016. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1708016,
title = {Materials Data on Ce2PrO6 by Materials Project},
author = {The Materials Project},
abstractNote = {PrCe2O6 is Fluorite-derived structured and crystallizes in the orthorhombic Immm 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 (2.47 Å) Pr–O bond lengths. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.37 Å) and four longer (2.38 Å) Ce–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Pr4+ and three equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OCe3Pr tetrahedra. In the second 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.},
doi = {10.17188/1708016},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}