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Title: Materials Data on CeZr2O6 by Materials Project

Abstract

CeZr2O6 is Fluorite-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.32 Å) and four longer (2.34 Å) Ce–O bond lengths. Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.22–2.26 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 one Ce4+ and three equivalent Zr4+ atoms to form a mixture of corner and edge-sharing OCeZr3 tetrahedra.

Publication Date:
Other Number(s):
mp-1226472
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CeZr2O6; Ce-O-Zr
OSTI Identifier:
1716493
DOI:
https://doi.org/10.17188/1716493

Citation Formats

The Materials Project. Materials Data on CeZr2O6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1716493.
The Materials Project. Materials Data on CeZr2O6 by Materials Project. United States. doi:https://doi.org/10.17188/1716493
The Materials Project. 2019. "Materials Data on CeZr2O6 by Materials Project". United States. doi:https://doi.org/10.17188/1716493. https://www.osti.gov/servlets/purl/1716493. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1716493,
title = {Materials Data on CeZr2O6 by Materials Project},
author = {The Materials Project},
abstractNote = {CeZr2O6 is Fluorite-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.32 Å) and four longer (2.34 Å) Ce–O bond lengths. Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.22–2.26 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 one Ce4+ and three equivalent Zr4+ atoms to form a mixture of corner and edge-sharing OCeZr3 tetrahedra.},
doi = {10.17188/1716493},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}