DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CeSe2 by Materials Project

Abstract

CeSe2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to eight Se2- atoms to form distorted edge-sharing CeSe8 hexagonal bipyramids. There are a spread of Ce–Se bond distances ranging from 2.89–3.17 Å. In the second Ce4+ site, Ce4+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.81–3.30 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four Ce4+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four Ce4+ atoms. In the third Se2- site, Se2- is bonded in a T-shaped geometry to three Ce4+ atoms.

Publication Date:
Other Number(s):
mp-1080349
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:
1707059
DOI:
https://doi.org/10.17188/1707059

Citation Formats

The Materials Project. Materials Data on CeSe2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1707059.
The Materials Project. Materials Data on CeSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1707059
The Materials Project. 2018. "Materials Data on CeSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1707059. https://www.osti.gov/servlets/purl/1707059. Pub date:Fri Apr 20 00:00:00 EDT 2018
@article{osti_1707059,
title = {Materials Data on CeSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {CeSe2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to eight Se2- atoms to form distorted edge-sharing CeSe8 hexagonal bipyramids. There are a spread of Ce–Se bond distances ranging from 2.89–3.17 Å. In the second Ce4+ site, Ce4+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.81–3.30 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four Ce4+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four Ce4+ atoms. In the third Se2- site, Se2- is bonded in a T-shaped geometry to three Ce4+ atoms.},
doi = {10.17188/1707059},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {4}
}