Materials Data on Li2ZnSi by Materials Project

doi:10.17188/1662286

Title: Materials Data on Li2ZnSi by Materials Project

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Abstract

Li2ZnSi crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Li–Si bond lengths are 2.50 Å. In the second Li1+ site, Li1+ is bonded in a 1-coordinate geometry to one Zn2+ and four equivalent Si4- atoms. The Li–Zn bond length is 2.50 Å. There are one shorter (2.61 Å) and three longer (2.86 Å) Li–Si bond lengths. Zn2+ is bonded in a 5-coordinate geometry to one Li1+ and four equivalent Si4- atoms. There are one shorter (2.54 Å) and three longer (2.72 Å) Zn–Si bond lengths. Si4- is bonded in a 11-coordinate geometry to seven Li1+ and four equivalent Zn2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1087492

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; Li2ZnSi; Li-Si-Zn

OSTI Identifier:: 1662286

DOI:: https://doi.org/10.17188/1662286

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                    The Materials Project. Materials Data on Li2ZnSi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662286.

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                    The Materials Project. Materials Data on Li2ZnSi by Materials Project.  United States.  doi:https://doi.org/10.17188/1662286

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                    The Materials Project. 2020.  
"Materials Data on Li2ZnSi by Materials Project".  United States.  doi:https://doi.org/10.17188/1662286.  https://www.osti.gov/servlets/purl/1662286. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1662286,

  title        = {Materials Data on Li2ZnSi by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2ZnSi crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Li–Si bond lengths are 2.50 Å. In the second Li1+ site, Li1+ is bonded in a 1-coordinate geometry to one Zn2+ and four equivalent Si4- atoms. The Li–Zn bond length is 2.50 Å. There are one shorter (2.61 Å) and three longer (2.86 Å) Li–Si bond lengths. Zn2+ is bonded in a 5-coordinate geometry to one Li1+ and four equivalent Si4- atoms. There are one shorter (2.54 Å) and three longer (2.72 Å) Zn–Si bond lengths. Si4- is bonded in a 11-coordinate geometry to seven Li1+ and four equivalent Zn2+ atoms.},

  doi          = {10.17188/1662286},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1662286

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