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Title: Materials Data on CeSe2 by Materials Project

Abstract

CeSe2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce4+ is bonded in a 5-coordinate geometry to eleven Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.89–3.39 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to six equivalent Ce4+ and eight Se2- atoms. There are two shorter (2.89 Å) and six longer (3.39 Å) Se–Se bond lengths. In the second Se2- site, Se2- is bonded to five equivalent Ce4+ and six equivalent Se2- atoms to form a mixture of face and corner-sharing SeCe5Se6 trigonal bipyramids.

Authors:
Publication Date:
Other Number(s):
mp-1080330
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; CeSe2; Ce-Se
OSTI Identifier:
1732645
DOI:
https://doi.org/10.17188/1732645

Citation Formats

The Materials Project. Materials Data on CeSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732645.
The Materials Project. Materials Data on CeSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1732645
The Materials Project. 2020. "Materials Data on CeSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1732645. https://www.osti.gov/servlets/purl/1732645. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1732645,
title = {Materials Data on CeSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {CeSe2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce4+ is bonded in a 5-coordinate geometry to eleven Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.89–3.39 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to six equivalent Ce4+ and eight Se2- atoms. There are two shorter (2.89 Å) and six longer (3.39 Å) Se–Se bond lengths. In the second Se2- site, Se2- is bonded to five equivalent Ce4+ and six equivalent Se2- atoms to form a mixture of face and corner-sharing SeCe5Se6 trigonal bipyramids.},
doi = {10.17188/1732645},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}