Materials Data on Hf5Al3 by Materials Project

doi:10.17188/1199616

Title: Materials Data on Hf5Al3 by Materials Project

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Abstract

Hf5Al3 crystallizes in the hexagonal P6_3/mcm 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 five equivalent Al atoms. There are a spread of Hf–Al bond distances ranging from 2.81–3.13 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to two equivalent Hf and six equivalent Al atoms. Both Hf–Hf bond lengths are 2.85 Å. All Hf–Al bond lengths are 2.87 Å. Al is bonded in a 9-coordinate geometry to nine Hf atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-2361

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; Hf5Al3; Al-Hf

OSTI Identifier:: 1199616

DOI:: https://doi.org/10.17188/1199616

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                    The Materials Project. Materials Data on Hf5Al3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199616.

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                    The Materials Project. Materials Data on Hf5Al3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199616

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                    The Materials Project. 2020.  
"Materials Data on Hf5Al3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199616.  https://www.osti.gov/servlets/purl/1199616. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199616,

  title        = {Materials Data on Hf5Al3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Hf5Al3 crystallizes in the hexagonal P6_3/mcm 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 five equivalent Al atoms. There are a spread of Hf–Al bond distances ranging from 2.81–3.13 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to two equivalent Hf and six equivalent Al atoms. Both Hf–Hf bond lengths are 2.85 Å. All Hf–Al bond lengths are 2.87 Å. Al is bonded in a 9-coordinate geometry to nine Hf atoms.},

  doi          = {10.17188/1199616},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199616

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