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.

Authors:: The Materials Project

Publication Date:: 2017-07-18

Other Number(s):: mp-974058

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; LiCu3; Cu-Li

OSTI Identifier:: 1314432

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

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

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

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                    The Materials Project. 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 00:00:00 EDT 2017

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@article{osti_1314432,

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

  author       = {The 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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