Materials Data on Li3SbS4 by Materials Project

doi:10.17188/1291632

Title: Materials Data on Li3SbS4 by Materials Project

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Abstract

Li3SbS4 is Lavarevi\'{c}ite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with four equivalent SbS4 tetrahedra and corners with eight equivalent LiS4 tetrahedra. All Li–S bond lengths are 2.50 Å. In the second Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with four equivalent SbS4 tetrahedra and corners with eight LiS4 tetrahedra. All Li–S bond lengths are 2.44 Å. Sb5+ is bonded to four equivalent S2- atoms to form SbS4 tetrahedra that share corners with twelve LiS4 tetrahedra. All Sb–S bond lengths are 2.38 Å. S2- is bonded to three Li1+ and one Sb5+ atom to form corner-sharing SLi3Sb tetrahedra.

Publication Date:: 2020-05-02

Other Number(s):: mp-760415

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; Li-S-Sb; Li3SbS4; crystal structure

OSTI Identifier:: 1291632

DOI:: https://doi.org/10.17188/1291632

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                    Materials Data on Li3SbS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291632.

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                    Materials Data on Li3SbS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1291632

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                    2020.  
"Materials Data on Li3SbS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1291632.  https://www.osti.gov/servlets/purl/1291632. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1291632,

  title        = {Materials Data on Li3SbS4 by Materials Project},

  
  abstractNote = {Li3SbS4 is Lavarevi\'{c}ite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with four equivalent SbS4 tetrahedra and corners with eight equivalent LiS4 tetrahedra. All Li–S bond lengths are 2.50 Å. In the second Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with four equivalent SbS4 tetrahedra and corners with eight LiS4 tetrahedra. All Li–S bond lengths are 2.44 Å. Sb5+ is bonded to four equivalent S2- atoms to form SbS4 tetrahedra that share corners with twelve LiS4 tetrahedra. All Sb–S bond lengths are 2.38 Å. S2- is bonded to three Li1+ and one Sb5+ atom to form corner-sharing SLi3Sb tetrahedra.},

  doi          = {10.17188/1291632},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1291632

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