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Title: Materials Data on CeOF by Materials Project

Abstract

CeOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are one shorter (2.36 Å) and three longer (2.38 Å) Ce–O bond lengths. There are three shorter (2.57 Å) and one longer (2.60 Å) Ce–F bond lengths. O2- is bonded to four equivalent Ce3+ atoms to form distorted OCe4 tetrahedra that share corners with six equivalent OCe4 tetrahedra, corners with ten equivalent FCe4 tetrahedra, edges with three equivalent OCe4 tetrahedra, and edges with three equivalent FCe4 tetrahedra. F1- is bonded to four equivalent Ce3+ atoms to form distorted FCe4 tetrahedra that share corners with six equivalent FCe4 tetrahedra, corners with ten equivalent OCe4 tetrahedra, edges with three equivalent OCe4 tetrahedra, and edges with three equivalent FCe4 tetrahedra.

Publication Date:
Other Number(s):
mp-755007
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; CeOF; Ce-F-O
OSTI Identifier:
1289729
DOI:
https://doi.org/10.17188/1289729

Citation Formats

The Materials Project. Materials Data on CeOF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289729.
The Materials Project. Materials Data on CeOF by Materials Project. United States. doi:https://doi.org/10.17188/1289729
The Materials Project. 2020. "Materials Data on CeOF by Materials Project". United States. doi:https://doi.org/10.17188/1289729. https://www.osti.gov/servlets/purl/1289729. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1289729,
title = {Materials Data on CeOF by Materials Project},
author = {The Materials Project},
abstractNote = {CeOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are one shorter (2.36 Å) and three longer (2.38 Å) Ce–O bond lengths. There are three shorter (2.57 Å) and one longer (2.60 Å) Ce–F bond lengths. O2- is bonded to four equivalent Ce3+ atoms to form distorted OCe4 tetrahedra that share corners with six equivalent OCe4 tetrahedra, corners with ten equivalent FCe4 tetrahedra, edges with three equivalent OCe4 tetrahedra, and edges with three equivalent FCe4 tetrahedra. F1- is bonded to four equivalent Ce3+ atoms to form distorted FCe4 tetrahedra that share corners with six equivalent FCe4 tetrahedra, corners with ten equivalent OCe4 tetrahedra, edges with three equivalent OCe4 tetrahedra, and edges with three equivalent FCe4 tetrahedra.},
doi = {10.17188/1289729},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}