Materials Data on Mn3Al9Si by Materials Project

doi:10.17188/1191400

Title: Materials Data on Mn3Al9Si by Materials Project

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Abstract

Mn3Al9Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to two equivalent Mn, eight Al, and two equivalent Si atoms. Both Mn–Mn bond lengths are 2.68 Å. There are a spread of Mn–Al bond distances ranging from 2.42–2.67 Å. Both Mn–Si bond lengths are 2.46 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 1-coordinate geometry to three equivalent Mn, nine Al, and one Si atom. There are a spread of Al–Al bond distances ranging from 2.77–2.99 Å. The Al–Si bond length is 2.65 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to three equivalent Mn, nine Al, and one Si atom. There are a spread of Al–Al bond distances ranging from 2.77–2.99 Å. The Al–Si bond length is 2.65 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to three equivalent Mn, nine Al, and one Si atom. There are a spread of Al–Al bond distances ranging from 2.77–2.93 Å. The Al–Si bond length is 2.65 Å. In the fourth Al site, Al is bonded in a distorted linear geometry to twomore »« less

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-15819

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; Mn3Al9Si; Al-Mn-Si

OSTI Identifier:: 1191400

DOI:: https://doi.org/10.17188/1191400

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                    The Materials Project. Materials Data on Mn3Al9Si by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191400.

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                    The Materials Project. Materials Data on Mn3Al9Si by Materials Project.  United States.  doi:https://doi.org/10.17188/1191400

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                    The Materials Project. 2020.  
"Materials Data on Mn3Al9Si by Materials Project".  United States.  doi:https://doi.org/10.17188/1191400.  https://www.osti.gov/servlets/purl/1191400. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1191400,

  title        = {Materials Data on Mn3Al9Si by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn3Al9Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to two equivalent Mn, eight Al, and two equivalent Si atoms. Both Mn–Mn bond lengths are 2.68 Å. There are a spread of Mn–Al bond distances ranging from 2.42–2.67 Å. Both Mn–Si bond lengths are 2.46 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 1-coordinate geometry to three equivalent Mn, nine Al, and one Si atom. There are a spread of Al–Al bond distances ranging from 2.77–2.99 Å. The Al–Si bond length is 2.65 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to three equivalent Mn, nine Al, and one Si atom. There are a spread of Al–Al bond distances ranging from 2.77–2.99 Å. The Al–Si bond length is 2.65 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to three equivalent Mn, nine Al, and one Si atom. There are a spread of Al–Al bond distances ranging from 2.77–2.93 Å. The Al–Si bond length is 2.65 Å. In the fourth Al site, Al is bonded in a distorted linear geometry to two equivalent Mn and eight Al atoms. Si is bonded to six equivalent Mn and six Al atoms to form face-sharing SiMn6Al6 cuboctahedra.},

  doi          = {10.17188/1191400},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1191400

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