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Title: Materials Data on Ce2S2O by Materials Project

Abstract

Ce2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Ce–S bond distances ranging from 2.84–2.95 Å. The Ce–O bond length is 2.35 Å. In the second Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to four S2- and three equivalent O2- atoms. There are a spread of Ce–S bond distances ranging from 2.88–3.07 Å. There are a spread of Ce–O bond distances ranging from 2.35–2.41 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Ce3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Ce3+ atoms. O2- is bonded to four Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-755777
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; Ce2S2O; Ce-O-S
OSTI Identifier:
1290218
DOI:
10.17188/1290218

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce2S2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290218.
Persson, Kristin, & Project, Materials. Materials Data on Ce2S2O by Materials Project. United States. doi:10.17188/1290218.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ce2S2O by Materials Project". United States. doi:10.17188/1290218. https://www.osti.gov/servlets/purl/1290218. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1290218,
title = {Materials Data on Ce2S2O by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ce2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Ce–S bond distances ranging from 2.84–2.95 Å. The Ce–O bond length is 2.35 Å. In the second Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to four S2- and three equivalent O2- atoms. There are a spread of Ce–S bond distances ranging from 2.88–3.07 Å. There are a spread of Ce–O bond distances ranging from 2.35–2.41 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Ce3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Ce3+ atoms. O2- is bonded to four Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.},
doi = {10.17188/1290218},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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