Materials Data on Li2V2S5 by Materials Project

doi:10.17188/1290497

Title: Materials Data on Li2V2S5 by Materials Project

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Abstract

Li2V2S5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Li–S bond distances ranging from 2.50–2.83 Å. V4+ is bonded to five S2- atoms to form a mixture of distorted edge and corner-sharing VS5 trigonal bipyramids. There are a spread of V–S bond distances ranging from 2.18–2.46 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent V4+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent V4+ atoms. In the third S2- site, S2- is bonded in a distorted trigonal pyramidal geometry to two equivalent Li1+ and two equivalent V4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-756394

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; Li2V2S5; Li-S-V

OSTI Identifier:: 1290497

DOI:: https://doi.org/10.17188/1290497

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                    The Materials Project. Materials Data on Li2V2S5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290497.

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                    The Materials Project. Materials Data on Li2V2S5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290497

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                    The Materials Project. 2020.  
"Materials Data on Li2V2S5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290497.  https://www.osti.gov/servlets/purl/1290497. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1290497,

  title        = {Materials Data on Li2V2S5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2V2S5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Li–S bond distances ranging from 2.50–2.83 Å. V4+ is bonded to five S2- atoms to form a mixture of distorted edge and corner-sharing VS5 trigonal bipyramids. There are a spread of V–S bond distances ranging from 2.18–2.46 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent V4+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent V4+ atoms. In the third S2- site, S2- is bonded in a distorted trigonal pyramidal geometry to two equivalent Li1+ and two equivalent V4+ atoms.},

  doi          = {10.17188/1290497},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1290497

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