Materials Data on Li3SbS3 by Materials Project

doi:10.17188/1298254

Title: Materials Data on Li3SbS3 by Materials Project

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Abstract

Li3SbS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of Li–S bond distances ranging from 2.35–2.42 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form distorted edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.47–2.65 Å. In the third Li1+ site, Li1+ is bonded in a distorted see-saw-like geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.42–2.64 Å. Sb3+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.47–3.15 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three Li1+ and two equivalent Sb3+ atoms. In the second S2- site, S2- is bonded to four Li1+ and one Sb3+ atom to form a mixture of distorted corner and edge-sharing SLi4Sb trigonal bipyramids. In the third S2- site, S2- is bonded to four Li1+ and one Sb3+ atom to form amore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-768194

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; Li3SbS3; Li-S-Sb

OSTI Identifier:: 1298254

DOI:: https://doi.org/10.17188/1298254

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                    The Materials Project. Materials Data on Li3SbS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298254.

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                    The Materials Project. Materials Data on Li3SbS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1298254

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                    The Materials Project. 2020.  
"Materials Data on Li3SbS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1298254.  https://www.osti.gov/servlets/purl/1298254. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1298254,

  title        = {Materials Data on Li3SbS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li3SbS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of Li–S bond distances ranging from 2.35–2.42 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form distorted edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.47–2.65 Å. In the third Li1+ site, Li1+ is bonded in a distorted see-saw-like geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.42–2.64 Å. Sb3+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.47–3.15 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three Li1+ and two equivalent Sb3+ atoms. In the second S2- site, S2- is bonded to four Li1+ and one Sb3+ atom to form a mixture of distorted corner and edge-sharing SLi4Sb trigonal bipyramids. In the third S2- site, S2- is bonded to four Li1+ and one Sb3+ atom to form a mixture of distorted corner and edge-sharing SLi4Sb trigonal bipyramids.},

  doi          = {10.17188/1298254},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1298254

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