Materials Data on Li2BiS2 by Materials Project

doi:10.17188/1290024

Title: Materials Data on Li2BiS2 by Materials Project

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Abstract

Li2BiS2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.38–2.54 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.38–2.53 Å. Bi2+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Bi–S bond distances ranging from 2.81–2.84 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to four Li1+ and two equivalent Bi2+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to four Li1+ and two equivalent Bi2+ atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-755470

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; Li2BiS2; Bi-Li-S

OSTI Identifier:: 1290024

DOI:: https://doi.org/10.17188/1290024

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                    The Materials Project. Materials Data on Li2BiS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290024.

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                    The Materials Project. Materials Data on Li2BiS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290024

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                    The Materials Project. 2020.  
"Materials Data on Li2BiS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290024.  https://www.osti.gov/servlets/purl/1290024. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1290024,

  title        = {Materials Data on Li2BiS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2BiS2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.38–2.54 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.38–2.53 Å. Bi2+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Bi–S bond distances ranging from 2.81–2.84 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to four Li1+ and two equivalent Bi2+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to four Li1+ and two equivalent Bi2+ atoms.},

  doi          = {10.17188/1290024},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1290024

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