Materials Data on Sr2SiS4 by Materials Project

doi:10.17188/1740912

Title: Materials Data on Sr2SiS4 by Materials Project

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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:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

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

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                    The Materials Project. Materials Data on Sr2SiS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740912.

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                    The Materials Project. Materials Data on Sr2SiS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740912

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                    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

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@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         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1740912

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