Materials Data on Li2SiAu by Materials Project

doi:10.17188/1744815

Title: Materials Data on Li2SiAu by Materials Project

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Abstract

Li2AuSi crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent Si4- atoms to form corner-sharing LiSi4 tetrahedra. All Li–Si bond lengths are 2.64 Å. In the second Li1+ site, Li1+ is bonded to four equivalent Au2+ atoms to form distorted corner-sharing LiAu4 tetrahedra. All Li–Au bond lengths are 2.64 Å. Au2+ is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Si4- atoms. All Au–Si bond lengths are 2.64 Å. Si4- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Au2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1222602

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; Li2SiAu; Au-Li-Si

OSTI Identifier:: 1744815

DOI:: https://doi.org/10.17188/1744815

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                    The Materials Project. Materials Data on Li2SiAu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744815.

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                    The Materials Project. Materials Data on Li2SiAu by Materials Project.  United States.  doi:https://doi.org/10.17188/1744815

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                    The Materials Project. 2020.  
"Materials Data on Li2SiAu by Materials Project".  United States.  doi:https://doi.org/10.17188/1744815.  https://www.osti.gov/servlets/purl/1744815. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1744815,

  title        = {Materials Data on Li2SiAu by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2AuSi crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent Si4- atoms to form corner-sharing LiSi4 tetrahedra. All Li–Si bond lengths are 2.64 Å. In the second Li1+ site, Li1+ is bonded to four equivalent Au2+ atoms to form distorted corner-sharing LiAu4 tetrahedra. All Li–Au bond lengths are 2.64 Å. Au2+ is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Si4- atoms. All Au–Si bond lengths are 2.64 Å. Si4- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Au2+ atoms.},

  doi          = {10.17188/1744815},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744815

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