Materials Data on Ba(PIr)2 by Materials Project

doi:10.17188/1187606

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

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Abstract

BaIr2P2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to eight equivalent P atoms. All Ba–P bond lengths are 3.40 Å. Ir is bonded to four equivalent P atoms to form a mixture of distorted edge and corner-sharing IrP4 tetrahedra. All Ir–P bond lengths are 2.38 Å. P is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Ir atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-11169

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; Ba(PIr)2; Ba-Ir-P; crystal structure

OSTI Identifier:: 1187606

DOI:: https://doi.org/10.17188/1187606

Citation Formats


                    Materials Data on Ba(PIr)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187606.

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                    Materials Data on Ba(PIr)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187606

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                    2020.  
"Materials Data on Ba(PIr)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187606.  https://www.osti.gov/servlets/purl/1187606. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187606,

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

  
  abstractNote = {BaIr2P2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to eight equivalent P atoms. All Ba–P bond lengths are 3.40 Å. Ir is bonded to four equivalent P atoms to form a mixture of distorted edge and corner-sharing IrP4 tetrahedra. All Ir–P bond lengths are 2.38 Å. P is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Ir atoms.},

  doi          = {10.17188/1187606},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187606

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