Materials Data on LiFeAs by Materials Project

doi:10.17188/1325168

Title: Materials Data on LiFeAs by Materials Project

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Abstract

LiFeAs crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Li1+ is bonded in a 10-coordinate geometry to five equivalent Fe2+ and five equivalent As3- atoms. There are four shorter (2.57 Å) and one longer (2.58 Å) Li–Fe bond lengths. There are four shorter (2.56 Å) and one longer (2.59 Å) Li–As bond lengths. Fe2+ is bonded in a 10-coordinate geometry to five equivalent Li1+ and five equivalent As3- atoms. There are four shorter (2.43 Å) and one longer (2.83 Å) Fe–As bond lengths. As3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and five equivalent Fe2+ atoms.

Publication Date:: 2020-07-14

Other Number(s):: mp-1008927

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; As-Fe-Li; LiFeAs; crystal structure

OSTI Identifier:: 1325168

DOI:: https://doi.org/10.17188/1325168

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                    Materials Data on LiFeAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1325168.

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                    Materials Data on LiFeAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1325168

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                    2020.  
"Materials Data on LiFeAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1325168.  https://www.osti.gov/servlets/purl/1325168. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1325168,

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

  
  abstractNote = {LiFeAs crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Li1+ is bonded in a 10-coordinate geometry to five equivalent Fe2+ and five equivalent As3- atoms. There are four shorter (2.57 Å) and one longer (2.58 Å) Li–Fe bond lengths. There are four shorter (2.56 Å) and one longer (2.59 Å) Li–As bond lengths. Fe2+ is bonded in a 10-coordinate geometry to five equivalent Li1+ and five equivalent As3- atoms. There are four shorter (2.43 Å) and one longer (2.83 Å) Fe–As bond lengths. As3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and five equivalent Fe2+ atoms.},

  doi          = {10.17188/1325168},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1325168

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