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Title: Materials Data on Ce10S19 by Materials Project

Abstract

Ce10S19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ce+3.80+ sites. In the first Ce+3.80+ site, Ce+3.80+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.87–2.98 Å. In the second Ce+3.80+ site, Ce+3.80+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.88–3.14 Å. In the third Ce+3.80+ site, Ce+3.80+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.09 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Ce+3.80+ atoms. In the second S2- site, S2- is bonded to five Ce+3.80+ atoms to form a mixture of distorted edge and corner-sharing SCe5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Ce+3.80+ atoms to form a mixture of distorted edge and corner-sharing SCe5 trigonal bipyramids. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to four Ce+3.80+ and one S2- atom. The S–S bond length is 2.18 Å. Inmore » the fifth S2- site, S2- is bonded to five Ce+3.80+ atoms to form a mixture of distorted edge and corner-sharing SCe5 trigonal bipyramids. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to four Ce+3.80+ and one S2- atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-645688
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; Ce10S19; Ce-S
OSTI Identifier:
1280570
DOI:
10.17188/1280570

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce10S19 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280570.
Persson, Kristin, & Project, Materials. Materials Data on Ce10S19 by Materials Project. United States. doi:10.17188/1280570.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ce10S19 by Materials Project". United States. doi:10.17188/1280570. https://www.osti.gov/servlets/purl/1280570. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1280570,
title = {Materials Data on Ce10S19 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ce10S19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ce+3.80+ sites. In the first Ce+3.80+ site, Ce+3.80+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.87–2.98 Å. In the second Ce+3.80+ site, Ce+3.80+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.88–3.14 Å. In the third Ce+3.80+ site, Ce+3.80+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.09 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Ce+3.80+ atoms. In the second S2- site, S2- is bonded to five Ce+3.80+ atoms to form a mixture of distorted edge and corner-sharing SCe5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Ce+3.80+ atoms to form a mixture of distorted edge and corner-sharing SCe5 trigonal bipyramids. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to four Ce+3.80+ and one S2- atom. The S–S bond length is 2.18 Å. In the fifth S2- site, S2- is bonded to five Ce+3.80+ atoms to form a mixture of distorted edge and corner-sharing SCe5 trigonal bipyramids. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to four Ce+3.80+ and one S2- atom.},
doi = {10.17188/1280570},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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