Materials Data on Al3FeSi2 by Materials Project

doi:10.17188/1262387

Title: Materials Data on Al3FeSi2 by Materials Project

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Abstract

Al3FeSi2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Fe is bonded in a 10-coordinate geometry to six Al and four equivalent Si atoms. There are a spread of Fe–Al bond distances ranging from 2.37–2.59 Å. There are two shorter (2.44 Å) and two longer (2.46 Å) Fe–Si bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Fe, four equivalent Al, and four equivalent Si atoms. There are two shorter (2.66 Å) and two longer (2.71 Å) Al–Al bond lengths. There are two shorter (2.67 Å) and two longer (2.72 Å) Al–Si bond lengths. In the second Al site, Al is bonded in a 9-coordinate geometry to two equivalent Fe, three Al, and four equivalent Si atoms. The Al–Al bond length is 2.75 Å. There are a spread of Al–Si bond distances ranging from 2.60–2.77 Å. Si is bonded in a 9-coordinate geometry to two equivalent Fe, six Al, and one Si atom. The Si–Si bond length is 2.68 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-505229

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; Al3FeSi2; Al-Fe-Si

OSTI Identifier:: 1262387

DOI:: https://doi.org/10.17188/1262387

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                    The Materials Project. Materials Data on Al3FeSi2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262387.

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                    The Materials Project. Materials Data on Al3FeSi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262387

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                    The Materials Project. 2020.  
"Materials Data on Al3FeSi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262387.  https://www.osti.gov/servlets/purl/1262387. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1262387,

  title        = {Materials Data on Al3FeSi2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Al3FeSi2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Fe is bonded in a 10-coordinate geometry to six Al and four equivalent Si atoms. There are a spread of Fe–Al bond distances ranging from 2.37–2.59 Å. There are two shorter (2.44 Å) and two longer (2.46 Å) Fe–Si bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Fe, four equivalent Al, and four equivalent Si atoms. There are two shorter (2.66 Å) and two longer (2.71 Å) Al–Al bond lengths. There are two shorter (2.67 Å) and two longer (2.72 Å) Al–Si bond lengths. In the second Al site, Al is bonded in a 9-coordinate geometry to two equivalent Fe, three Al, and four equivalent Si atoms. The Al–Al bond length is 2.75 Å. There are a spread of Al–Si bond distances ranging from 2.60–2.77 Å. Si is bonded in a 9-coordinate geometry to two equivalent Fe, six Al, and one Si atom. The Si–Si bond length is 2.68 Å.},

  doi          = {10.17188/1262387},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262387

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