Materials Data on Li3BiS3 by Materials Project

doi:10.17188/1289097

Title: Materials Data on Li3BiS3 by Materials Project

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Abstract

Li3BiS3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.41–2.54 Å. Bi3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent S2- atoms. All Bi–S bond lengths are 2.59 Å. S2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one Bi3+ atom.

Publication Date:: 2020-05-03

Other Number(s):: mp-753677

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; Bi-Li-S; Li3BiS3; crystal structure

OSTI Identifier:: 1289097

DOI:: https://doi.org/10.17188/1289097

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                    Materials Data on Li3BiS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289097.

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                    Materials Data on Li3BiS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289097

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                    2020.  
"Materials Data on Li3BiS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289097.  https://www.osti.gov/servlets/purl/1289097. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1289097,

  title        = {Materials Data on Li3BiS3 by Materials Project},

  
  abstractNote = {Li3BiS3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.41–2.54 Å. Bi3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent S2- atoms. All Bi–S bond lengths are 2.59 Å. S2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one Bi3+ atom.},

  doi          = {10.17188/1289097},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1289097

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