Materials Data on LiCu3 by Materials Project

doi:10.17188/1314432

Title: Materials Data on LiCu3 by Materials Project

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Abstract

LiCu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to fourteen Cu atoms. There are eight shorter (2.49 Å) and six longer (2.88 Å) Li–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Li and four equivalent Cu atoms to form a mixture of distorted face, edge, and corner-sharing CuLi4Cu4 tetrahedra. All Cu–Cu bond lengths are 2.49 Å. In the second Cu site, Cu is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Cu atoms.

Publication Date:: 2017-07-18

Other Number(s):: mp-974058

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; LiCu3; crystal structure

OSTI Identifier:: 1314432

DOI:: https://doi.org/10.17188/1314432

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                    Materials Data on LiCu3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1314432.

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                    Materials Data on LiCu3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314432

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                    2017.  
"Materials Data on LiCu3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314432.  https://www.osti.gov/servlets/purl/1314432. Pub date:Tue Jul 18 04:00:00 UTC 2017

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@article{osti_1314432,

  title        = {Materials Data on LiCu3 by Materials Project},

  
  abstractNote = {LiCu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to fourteen Cu atoms. There are eight shorter (2.49 Å) and six longer (2.88 Å) Li–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Li and four equivalent Cu atoms to form a mixture of distorted face, edge, and corner-sharing CuLi4Cu4 tetrahedra. All Cu–Cu bond lengths are 2.49 Å. In the second Cu site, Cu is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Cu atoms.},

  doi          = {10.17188/1314432},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1314432

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