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Title: Materials Data on CeSe2 by Materials Project

Abstract

CeSe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are three shorter (2.90 Å) and six longer (3.17 Å) Ce–Se bond lengths. In the second Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are six shorter (2.92 Å) and three longer (3.12 Å) Ce–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four Ce4+ atoms to form a mixture of distorted corner and edge-sharing SeCe4 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Ce4+ atoms.

Publication Date:
Other Number(s):
mp-1021484
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; CeSe2; Ce-Se
OSTI Identifier:
1351485
DOI:
10.17188/1351485

Citation Formats

The Materials Project. Materials Data on CeSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1351485.
The Materials Project. Materials Data on CeSe2 by Materials Project. United States. doi:10.17188/1351485.
The Materials Project. 2020. "Materials Data on CeSe2 by Materials Project". United States. doi:10.17188/1351485. https://www.osti.gov/servlets/purl/1351485. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1351485,
title = {Materials Data on CeSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {CeSe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are three shorter (2.90 Å) and six longer (3.17 Å) Ce–Se bond lengths. In the second Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are six shorter (2.92 Å) and three longer (3.12 Å) Ce–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four Ce4+ atoms to form a mixture of distorted corner and edge-sharing SeCe4 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Ce4+ atoms.},
doi = {10.17188/1351485},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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