Materials Data on Si(PbSe2)2 by Materials Project

doi:10.17188/1201757

Title: Materials Data on Si(PbSe2)2 by Materials Project

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Abstract

SiPb2Se4 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 Se2- atoms. There are a spread of Pb–Se bond distances ranging from 2.90–3.67 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Pb–Se bond distances ranging from 2.95–3.74 Å. Si4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are three shorter (2.30 Å) and one longer (2.31 Å) Si–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom. In the second Se2- site, Se2- is bonded in a distorted single-bond geometry to four Pb2+ and one Si4+ atom. In the third Se2- site, Se2- is bonded in a distorted single-bond geometry to four Pb2+ and one Si4+ atom. In the fourth Se2- site, Se2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom.

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-27532

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Pb-Se-Si; Si(PbSe2)2; crystal structure

OSTI Identifier:: 1201757

DOI:: https://doi.org/10.17188/1201757

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                    Materials Data on Si(PbSe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201757.

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                    Materials Data on Si(PbSe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201757

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                    2020.  
"Materials Data on Si(PbSe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201757.  https://www.osti.gov/servlets/purl/1201757. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1201757,

  title        = {Materials Data on Si(PbSe2)2 by Materials Project},

  
  abstractNote = {SiPb2Se4 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 Se2- atoms. There are a spread of Pb–Se bond distances ranging from 2.90–3.67 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Pb–Se bond distances ranging from 2.95–3.74 Å. Si4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are three shorter (2.30 Å) and one longer (2.31 Å) Si–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom. In the second Se2- site, Se2- is bonded in a distorted single-bond geometry to four Pb2+ and one Si4+ atom. In the third Se2- site, Se2- is bonded in a distorted single-bond geometry to four Pb2+ and one Si4+ atom. In the fourth Se2- site, Se2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom.},

  doi          = {10.17188/1201757},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1201757

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