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Title: Materials Data on Sr2SiS4 by Materials Project

Abstract

Sr2SiS4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 2.97–3.52 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.05–3.48 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are three shorter (2.13 Å) and one longer (2.14 Å) Si–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four Sr2+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Sr2+ and one Si4+ atom. In the third S2- site, S2- is bonded to four Sr2+ and one Si4+ atom to form a mixture of distorted face, edge, and corner-sharing SSr4Si square pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1104926
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; Sr2SiS4; S-Si-Sr
OSTI Identifier:
1740912
DOI:
https://doi.org/10.17188/1740912

Citation Formats

The Materials Project. Materials Data on Sr2SiS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740912.
The Materials Project. Materials Data on Sr2SiS4 by Materials Project. United States. doi:https://doi.org/10.17188/1740912
The Materials Project. 2020. "Materials Data on Sr2SiS4 by Materials Project". United States. doi:https://doi.org/10.17188/1740912. https://www.osti.gov/servlets/purl/1740912. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1740912,
title = {Materials Data on Sr2SiS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2SiS4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 2.97–3.52 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.05–3.48 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are three shorter (2.13 Å) and one longer (2.14 Å) Si–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four Sr2+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Sr2+ and one Si4+ atom. In the third S2- site, S2- is bonded to four Sr2+ and one Si4+ atom to form a mixture of distorted face, edge, and corner-sharing SSr4Si square pyramids.},
doi = {10.17188/1740912},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}