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Title: Materials Data on CeSe2 by Materials Project

Abstract

CeSe2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing CeSe6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Ce–Se bond distances ranging from 2.84–2.90 Å. In the second Ce4+ site, Ce4+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing CeSe6 octahedra. The corner-sharing octahedra tilt angles range from 54–59°. There are a spread of Ce–Se bond distances ranging from 2.85–2.88 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a trigonal planar geometry to three equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded in a distorted trigonal planar geometry to three Ce4+ atoms. In the third Se2- site, Se2- is bonded in a distorted trigonal planar geometry to three Ce4+ atoms.

Publication Date:
Other Number(s):
mp-1080851
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:
1678009
DOI:
https://doi.org/10.17188/1678009

Citation Formats

The Materials Project. Materials Data on CeSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678009.
The Materials Project. Materials Data on CeSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1678009
The Materials Project. 2020. "Materials Data on CeSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1678009. https://www.osti.gov/servlets/purl/1678009. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1678009,
title = {Materials Data on CeSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {CeSe2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing CeSe6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Ce–Se bond distances ranging from 2.84–2.90 Å. In the second Ce4+ site, Ce4+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing CeSe6 octahedra. The corner-sharing octahedra tilt angles range from 54–59°. There are a spread of Ce–Se bond distances ranging from 2.85–2.88 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a trigonal planar geometry to three equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded in a distorted trigonal planar geometry to three Ce4+ atoms. In the third Se2- site, Se2- is bonded in a distorted trigonal planar geometry to three Ce4+ atoms.},
doi = {10.17188/1678009},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}