Materials Data on Li2S by Materials Project

doi:10.17188/1269717

Title: Materials Data on Li2S by Materials Project

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Abstract

Li2S crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one Li1+ and four equivalent S2- atoms. The Li–Li bond length is 2.25 Å. There are a spread of Li–S bond distances ranging from 2.43–2.56 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one Li1+ and four equivalent S2- atoms. There are a spread of Li–S bond distances ranging from 2.43–2.57 Å. S2- is bonded in a 8-coordinate geometry to eight Li1+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-557142

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; Li2S; Li-S

OSTI Identifier:: 1269717

DOI:: https://doi.org/10.17188/1269717

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                    The Materials Project. Materials Data on Li2S by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269717.

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                    The Materials Project. Materials Data on Li2S by Materials Project.  United States.  doi:https://doi.org/10.17188/1269717

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                    The Materials Project. 2020.  
"Materials Data on Li2S by Materials Project".  United States.  doi:https://doi.org/10.17188/1269717.  https://www.osti.gov/servlets/purl/1269717. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1269717,

  title        = {Materials Data on Li2S by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2S crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one Li1+ and four equivalent S2- atoms. The Li–Li bond length is 2.25 Å. There are a spread of Li–S bond distances ranging from 2.43–2.56 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one Li1+ and four equivalent S2- atoms. There are a spread of Li–S bond distances ranging from 2.43–2.57 Å. S2- is bonded in a 8-coordinate geometry to eight Li1+ atoms.},

  doi          = {10.17188/1269717},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269717

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