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

Title: Materials Data on Ce3SiAgS7 by Materials Project

Abstract

Ce3AgSiS7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.88–3.08 Å. In the second Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.89–3.09 Å. In the third Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.89–3.09 Å. Ag1+ is bonded in a trigonal planar geometry to three S2- atoms. There are two shorter (2.44 Å) and one longer (2.46 Å) Ag–S bond lengths. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.16 Å. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to three Ce3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Ce3+ and one Si4+ atom. In the third S2-more » site, S2- is bonded in a 4-coordinate geometry to three Ce3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three Ce3+ and one Si4+ atom. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to four Ce3+ and one Ag1+ atom. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to four Ce3+ and one Ag1+ atom. In the seventh S2- site, S2- is bonded in a 5-coordinate geometry to four Ce3+ and one Ag1+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-866605
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ce3SiAgS7; Ag-Ce-S-Si
OSTI Identifier:
1311601
DOI:
https://doi.org/10.17188/1311601

Citation Formats

The Materials Project. Materials Data on Ce3SiAgS7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311601.
The Materials Project. Materials Data on Ce3SiAgS7 by Materials Project. United States. doi:https://doi.org/10.17188/1311601
The Materials Project. 2020. "Materials Data on Ce3SiAgS7 by Materials Project". United States. doi:https://doi.org/10.17188/1311601. https://www.osti.gov/servlets/purl/1311601. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1311601,
title = {Materials Data on Ce3SiAgS7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce3AgSiS7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.88–3.08 Å. In the second Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.89–3.09 Å. In the third Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.89–3.09 Å. Ag1+ is bonded in a trigonal planar geometry to three S2- atoms. There are two shorter (2.44 Å) and one longer (2.46 Å) Ag–S bond lengths. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.16 Å. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to three Ce3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Ce3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three Ce3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three Ce3+ and one Si4+ atom. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to four Ce3+ and one Ag1+ atom. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to four Ce3+ and one Ag1+ atom. In the seventh S2- site, S2- is bonded in a 5-coordinate geometry to four Ce3+ and one Ag1+ atom.},
doi = {10.17188/1311601},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}