Materials Data on Al3Ir by Materials Project

doi:10.17188/1199100

Title: Materials Data on Al3Ir by Materials Project

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Abstract

IrAl3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ir is bonded in a 5-coordinate geometry to eleven Al atoms. There are a spread of Ir–Al bond distances ranging from 2.48–2.82 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a trigonal planar geometry to three equivalent Ir and six equivalent Al atoms. All Al–Al bond lengths are 2.82 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to four equivalent Ir and seven Al atoms. There are one shorter (2.66 Å) and three longer (2.77 Å) Al–Al bond lengths.

Publication Date:: 2020-07-16

Other Number(s):: mp-2294

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; Al-Ir; Al3Ir; crystal structure

OSTI Identifier:: 1199100

DOI:: https://doi.org/10.17188/1199100

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                    Materials Data on Al3Ir by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199100.

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                    Materials Data on Al3Ir by Materials Project.  United States.  doi:https://doi.org/10.17188/1199100

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                    2020.  
"Materials Data on Al3Ir by Materials Project".  United States.  doi:https://doi.org/10.17188/1199100.  https://www.osti.gov/servlets/purl/1199100. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1199100,

  title        = {Materials Data on Al3Ir by Materials Project},

  
  abstractNote = {IrAl3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ir is bonded in a 5-coordinate geometry to eleven Al atoms. There are a spread of Ir–Al bond distances ranging from 2.48–2.82 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a trigonal planar geometry to three equivalent Ir and six equivalent Al atoms. All Al–Al bond lengths are 2.82 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to four equivalent Ir and seven Al atoms. There are one shorter (2.66 Å) and three longer (2.77 Å) Al–Al bond lengths.},

  doi          = {10.17188/1199100},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199100

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