Materials Data on Li2ZrAl by Materials Project

doi:10.17188/1680280

Title: Materials Data on Li2ZrAl by Materials Project

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Abstract

ZrLi2Al crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Al atoms to form distorted edge-sharing LiLi4Al4 tetrahedra. All Li–Li bond lengths are 2.85 Å. All Li–Al bond lengths are 2.85 Å. In the second Li site, Li is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Zr atoms. All Li–Zr bond lengths are 2.85 Å. Zr is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Al atoms. All Zr–Al bond lengths are 2.85 Å. Al is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Zr atoms.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1206664

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; Li2ZrAl; Al-Li-Zr

OSTI Identifier:: 1680280

DOI:: https://doi.org/10.17188/1680280

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                    The Materials Project. Materials Data on Li2ZrAl by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1680280.

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                    The Materials Project. Materials Data on Li2ZrAl by Materials Project.  United States.  doi:https://doi.org/10.17188/1680280

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                    The Materials Project. 2019.  
"Materials Data on Li2ZrAl by Materials Project".  United States.  doi:https://doi.org/10.17188/1680280.  https://www.osti.gov/servlets/purl/1680280. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1680280,

  title        = {Materials Data on Li2ZrAl by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZrLi2Al crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Al atoms to form distorted edge-sharing LiLi4Al4 tetrahedra. All Li–Li bond lengths are 2.85 Å. All Li–Al bond lengths are 2.85 Å. In the second Li site, Li is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Zr atoms. All Li–Zr bond lengths are 2.85 Å. Zr is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Al atoms. All Zr–Al bond lengths are 2.85 Å. Al is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Zr atoms.},

  doi          = {10.17188/1680280},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1680280

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