Materials Data on Ba(FeAs)2 by Materials Project

doi:10.17188/1274845

Title: Materials Data on Ba(FeAs)2 by Materials Project

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Abstract

BaFe2As2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ba–As bond lengths are 3.42 Å. Fe2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.32 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Fe2+ atoms.

Publication Date:: 2020-07-15

Other Number(s):: mp-568961

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-Ba-Fe; Ba(FeAs)2; crystal structure

OSTI Identifier:: 1274845

DOI:: https://doi.org/10.17188/1274845

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                    Materials Data on Ba(FeAs)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274845.

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                    Materials Data on Ba(FeAs)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274845

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                    2020.  
"Materials Data on Ba(FeAs)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274845.  https://www.osti.gov/servlets/purl/1274845. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1274845,

  title        = {Materials Data on Ba(FeAs)2 by Materials Project},

  
  abstractNote = {BaFe2As2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ba–As bond lengths are 3.42 Å. Fe2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.32 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Fe2+ atoms.},

  doi          = {10.17188/1274845},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274845

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