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Title: Materials Data on CeHfO4 by Materials Project

Abstract

CeHfO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ce4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.52 Å. Hf4+ is bonded to six O2- atoms to form distorted edge-sharing HfO6 octahedra. There are a spread of Hf–O bond distances ranging from 2.03–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce4+ and one Hf4+ atom. In the second O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing OCe2Hf2 tetrahedra.

Publication Date:
Other Number(s):
mp-752669
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; CeHfO4; Ce-Hf-O
OSTI Identifier:
1288721
DOI:
10.17188/1288721

Citation Formats

The Materials Project. Materials Data on CeHfO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288721.
The Materials Project. Materials Data on CeHfO4 by Materials Project. United States. doi:10.17188/1288721.
The Materials Project. 2020. "Materials Data on CeHfO4 by Materials Project". United States. doi:10.17188/1288721. https://www.osti.gov/servlets/purl/1288721. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1288721,
title = {Materials Data on CeHfO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CeHfO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ce4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.52 Å. Hf4+ is bonded to six O2- atoms to form distorted edge-sharing HfO6 octahedra. There are a spread of Hf–O bond distances ranging from 2.03–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce4+ and one Hf4+ atom. In the second O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing OCe2Hf2 tetrahedra.},
doi = {10.17188/1288721},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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