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Title: Materials Data on Ce2ZrO6 by Materials Project

Abstract

Ce2ZrO6 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.35 Å) Ce–O bond lengths. Zr4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Zr–O bond lengths are 2.27 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Zr4+ atoms to form a mixture of corner and edge-sharing OCe2Zr2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1226748
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; Ce2ZrO6; Ce-O-Zr
OSTI Identifier:
1708038
DOI:
https://doi.org/10.17188/1708038

Citation Formats

The Materials Project. Materials Data on Ce2ZrO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708038.
The Materials Project. Materials Data on Ce2ZrO6 by Materials Project. United States. doi:https://doi.org/10.17188/1708038
The Materials Project. 2020. "Materials Data on Ce2ZrO6 by Materials Project". United States. doi:https://doi.org/10.17188/1708038. https://www.osti.gov/servlets/purl/1708038. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1708038,
title = {Materials Data on Ce2ZrO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2ZrO6 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.35 Å) Ce–O bond lengths. Zr4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Zr–O bond lengths are 2.27 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Zr4+ atoms to form a mixture of corner and edge-sharing OCe2Zr2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra.},
doi = {10.17188/1708038},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}