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Title: Materials Data on Ce4(SiS4)3 by Materials Project

Abstract

Ce4(SiS4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ce–S bond distances ranging from 2.86–3.06 Å. In the second Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.89–3.39 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.17 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded to three Ce3+ and one Si4+ atom to form a mixture of distorted edge and corner-sharing SCe3Si tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-680692
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; Ce4(SiS4)3; Ce-S-Si
OSTI Identifier:
1283709
DOI:
10.17188/1283709

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce4(SiS4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283709.
Persson, Kristin, & Project, Materials. Materials Data on Ce4(SiS4)3 by Materials Project. United States. doi:10.17188/1283709.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ce4(SiS4)3 by Materials Project". United States. doi:10.17188/1283709. https://www.osti.gov/servlets/purl/1283709. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1283709,
title = {Materials Data on Ce4(SiS4)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ce4(SiS4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ce–S bond distances ranging from 2.86–3.06 Å. In the second Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.89–3.39 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.17 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded to three Ce3+ and one Si4+ atom to form a mixture of distorted edge and corner-sharing SCe3Si tetrahedra.},
doi = {10.17188/1283709},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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