Materials Data on Li3Cu by Materials Project

doi:10.17188/1314900

Title: Materials Data on Li3Cu by Materials Project

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Abstract

Li3Cu is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Cu atoms to form a mixture of distorted corner and edge-sharing LiCu4 cuboctahedra. All Li–Cu bond lengths are 2.78 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to four equivalent Cu atoms. All Li–Cu bond lengths are 2.76 Å. Cu is bonded to twelve Li atoms to form a mixture of corner, edge, and face-sharing CuLi12 cuboctahedra.

Publication Date:: Sat May 02 04:00:00 UTC 2020

Other Number(s):: mp-975882

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cu-Li; Li3Cu; crystal structure

OSTI Identifier:: 1314900

DOI:: https://doi.org/10.17188/1314900

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                    Materials Data on Li3Cu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314900.

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                    Materials Data on Li3Cu by Materials Project.  United States.  doi:https://doi.org/10.17188/1314900

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                    2020.  
"Materials Data on Li3Cu by Materials Project".  United States.  doi:https://doi.org/10.17188/1314900.  https://www.osti.gov/servlets/purl/1314900. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1314900,

  title        = {Materials Data on Li3Cu by Materials Project},

  
  abstractNote = {Li3Cu is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Cu atoms to form a mixture of distorted corner and edge-sharing LiCu4 cuboctahedra. All Li–Cu bond lengths are 2.78 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to four equivalent Cu atoms. All Li–Cu bond lengths are 2.76 Å. Cu is bonded to twelve Li atoms to form a mixture of corner, edge, and face-sharing CuLi12 cuboctahedra.},

  doi          = {10.17188/1314900},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 04:00:00 UTC 2020},

  month        = {Sat May 02 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1314900

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