Materials Data on UAlIr by Materials Project

doi:10.17188/1663769

Title: Materials Data on UAlIr by Materials Project

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Abstract

UIrAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. U is bonded in a 5-coordinate geometry to five Ir atoms. There are one shorter (2.91 Å) and four longer (2.92 Å) U–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent U and six equivalent Al atoms. All Ir–Al bond lengths are 2.63 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent U and three equivalent Al atoms. All Ir–Al bond lengths are 2.70 Å. Al is bonded to four Ir atoms to form a mixture of distorted edge and corner-sharing AlIr4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1079219

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; UAlIr; Al-Ir-U

OSTI Identifier:: 1663769

DOI:: https://doi.org/10.17188/1663769

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                    The Materials Project. Materials Data on UAlIr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663769.

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                    The Materials Project. Materials Data on UAlIr by Materials Project.  United States.  doi:https://doi.org/10.17188/1663769

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                    The Materials Project. 2020.  
"Materials Data on UAlIr by Materials Project".  United States.  doi:https://doi.org/10.17188/1663769.  https://www.osti.gov/servlets/purl/1663769. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1663769,

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

  author       = {The Materials Project},

  abstractNote = {UIrAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. U is bonded in a 5-coordinate geometry to five Ir atoms. There are one shorter (2.91 Å) and four longer (2.92 Å) U–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent U and six equivalent Al atoms. All Ir–Al bond lengths are 2.63 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent U and three equivalent Al atoms. All Ir–Al bond lengths are 2.70 Å. Al is bonded to four Ir atoms to form a mixture of distorted edge and corner-sharing AlIr4 tetrahedra.},

  doi          = {10.17188/1663769},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1663769

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