Materials Data on ZrAlW by Materials Project

doi:10.17188/1279192

Title: Materials Data on ZrAlW by Materials Project

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Abstract

ZrAlW is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded to four equivalent W atoms to form distorted ZrW4 tetrahedra that share corners with four equivalent AlW4 tetrahedra, corners with twelve equivalent ZrW4 tetrahedra, and edges with six equivalent AlW4 tetrahedra. All Zr–W bond lengths are 2.76 Å. W is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Al atoms. All W–Al bond lengths are 2.76 Å. Al is bonded to four equivalent W atoms to form distorted AlW4 tetrahedra that share corners with four equivalent ZrW4 tetrahedra, corners with twelve equivalent AlW4 tetrahedra, and edges with six equivalent ZrW4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-631503

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; ZrAlW; Al-W-Zr

OSTI Identifier:: 1279192

DOI:: https://doi.org/10.17188/1279192

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                    The Materials Project. Materials Data on ZrAlW by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279192.

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                    The Materials Project. Materials Data on ZrAlW by Materials Project.  United States.  doi:https://doi.org/10.17188/1279192

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                    The Materials Project. 2020.  
"Materials Data on ZrAlW by Materials Project".  United States.  doi:https://doi.org/10.17188/1279192.  https://www.osti.gov/servlets/purl/1279192. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1279192,

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

  author       = {The Materials Project},

  abstractNote = {ZrAlW is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded to four equivalent W atoms to form distorted ZrW4 tetrahedra that share corners with four equivalent AlW4 tetrahedra, corners with twelve equivalent ZrW4 tetrahedra, and edges with six equivalent AlW4 tetrahedra. All Zr–W bond lengths are 2.76 Å. W is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Al atoms. All W–Al bond lengths are 2.76 Å. Al is bonded to four equivalent W atoms to form distorted AlW4 tetrahedra that share corners with four equivalent ZrW4 tetrahedra, corners with twelve equivalent AlW4 tetrahedra, and edges with six equivalent ZrW4 tetrahedra.},

  doi          = {10.17188/1279192},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279192

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