Materials Data on Hf6Al2Fe by Materials Project

doi:10.17188/1680492

Title: Materials Data on Hf6Al2Fe by Materials Project

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Abstract

Hf6FeAl2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 5-coordinate geometry to one Fe and four equivalent Al atoms. The Hf–Fe bond length is 3.11 Å. All Hf–Al bond lengths are 2.91 Å. In the second Hf site, Hf is bonded in a 2-coordinate geometry to two equivalent Fe and two equivalent Al atoms. Both Hf–Fe bond lengths are 2.55 Å. Both Hf–Al bond lengths are 3.00 Å. Fe is bonded in a 6-coordinate geometry to nine Hf atoms. Al is bonded in a 9-coordinate geometry to nine Hf atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1224393

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; Hf6Al2Fe; Al-Fe-Hf

OSTI Identifier:: 1680492

DOI:: https://doi.org/10.17188/1680492

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                    The Materials Project. Materials Data on Hf6Al2Fe by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1680492.

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                    The Materials Project. Materials Data on Hf6Al2Fe by Materials Project.  United States.  doi:https://doi.org/10.17188/1680492

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                    The Materials Project. 2019.  
"Materials Data on Hf6Al2Fe by Materials Project".  United States.  doi:https://doi.org/10.17188/1680492.  https://www.osti.gov/servlets/purl/1680492. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1680492,

  title        = {Materials Data on Hf6Al2Fe by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Hf6FeAl2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 5-coordinate geometry to one Fe and four equivalent Al atoms. The Hf–Fe bond length is 3.11 Å. All Hf–Al bond lengths are 2.91 Å. In the second Hf site, Hf is bonded in a 2-coordinate geometry to two equivalent Fe and two equivalent Al atoms. Both Hf–Fe bond lengths are 2.55 Å. Both Hf–Al bond lengths are 3.00 Å. Fe is bonded in a 6-coordinate geometry to nine Hf atoms. Al is bonded in a 9-coordinate geometry to nine Hf atoms.},

  doi          = {10.17188/1680492},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1680492

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