Materials Data on MnAl12Fe by Materials Project

doi:10.17188/1717022

Title: Materials Data on MnAl12Fe by Materials Project

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Abstract

Al12FeMn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mn is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Mn–Al bond distances ranging from 2.45–2.64 Å. Fe is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.43–2.64 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Fe and four equivalent Al atoms. There are two shorter (2.79 Å) and two longer (2.85 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Mn and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.98 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to one Mn, one Fe, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.63–2.80 Å. In the fourth Al site, Al is bonded in a 1-coordinate geometry to one Fe and five Al atoms. The Al–Al bond length is 2.54 Å. In the fifth Al site, Al is bondedmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1221672

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; MnAl12Fe; Al-Fe-Mn

OSTI Identifier:: 1717022

DOI:: https://doi.org/10.17188/1717022

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                    The Materials Project. Materials Data on MnAl12Fe by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1717022.

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                    The Materials Project. Materials Data on MnAl12Fe by Materials Project.  United States.  doi:https://doi.org/10.17188/1717022

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                    The Materials Project. 2019.  
"Materials Data on MnAl12Fe by Materials Project".  United States.  doi:https://doi.org/10.17188/1717022.  https://www.osti.gov/servlets/purl/1717022. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1717022,

  title        = {Materials Data on MnAl12Fe by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Al12FeMn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mn is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Mn–Al bond distances ranging from 2.45–2.64 Å. Fe is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.43–2.64 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Fe and four equivalent Al atoms. There are two shorter (2.79 Å) and two longer (2.85 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Mn and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.98 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to one Mn, one Fe, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.63–2.80 Å. In the fourth Al site, Al is bonded in a 1-coordinate geometry to one Fe and five Al atoms. The Al–Al bond length is 2.54 Å. In the fifth Al site, Al is bonded in a 11-coordinate geometry to one Mn and ten Al atoms. The Al–Al bond length is 2.63 Å.},

  doi          = {10.17188/1717022},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1717022

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