Materials Data on Si(PbS2)2 by Materials Project

doi:10.17188/1261772

Title: Materials Data on Si(PbS2)2 by Materials Project

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Abstract

SiPb2S4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.84–3.38 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.80–3.51 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.13–2.15 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to four Pb2+ and one Si4+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to four Pb2+ and one Si4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-504564

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; Si(PbS2)2; Pb-S-Si

OSTI Identifier:: 1261772

DOI:: https://doi.org/10.17188/1261772

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                    The Materials Project. Materials Data on Si(PbS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1261772.

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                    The Materials Project. Materials Data on Si(PbS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1261772

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                    The Materials Project. 2020.  
"Materials Data on Si(PbS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1261772.  https://www.osti.gov/servlets/purl/1261772. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1261772,

  title        = {Materials Data on Si(PbS2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SiPb2S4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.84–3.38 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.80–3.51 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.13–2.15 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to four Pb2+ and one Si4+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to four Pb2+ and one Si4+ atom.},

  doi          = {10.17188/1261772},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1261772

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