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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-752669
- 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; CeHfO4; Ce-Hf-O
- OSTI Identifier:
- 1288721
- DOI:
- https://doi.org/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:https://doi.org/10.17188/1288721
The Materials Project. 2020.
"Materials Data on CeHfO4 by Materials Project". United States. doi:https://doi.org/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}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.