Materials Data on Mn3Al10 by Materials Project

doi:10.17188/1191963

Title: Materials Data on Mn3Al10 by Materials Project

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Abstract

Al10Mn3 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 and ten Al atoms. Both Mn–Mn bond lengths are 2.73 Å. There are a spread of Mn–Al bond distances ranging from 2.41–2.69 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded to six equivalent Mn and six Al atoms to form face-sharing AlMn6Al6 cuboctahedra. All Al–Al bond lengths are 2.66 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Mn and eight Al atoms. There are four shorter (2.80 Å) and four longer (2.97 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Mn and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.80–3.00 Å. In the fourth Al site, Al is bonded in a 3-coordinate geometry to three equivalent Mn and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.80–3.00 Å. In the fifth Al site, Al is bonded in a 3-coordinate geometry to three equivalent Mn and ten Al atoms. Themore » Al–Al bond length is 2.88 Å.« less

Authors:: The Materials Project

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

Other Number(s):: mp-16511

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; Mn3Al10; Al-Mn

OSTI Identifier:: 1191963

DOI:: https://doi.org/10.17188/1191963

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                    The Materials Project. Materials Data on Mn3Al10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191963.

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                    The Materials Project. Materials Data on Mn3Al10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191963

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                    The Materials Project. 2020.  
"Materials Data on Mn3Al10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191963.  https://www.osti.gov/servlets/purl/1191963. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1191963,

  title        = {Materials Data on Mn3Al10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Al10Mn3 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 and ten Al atoms. Both Mn–Mn bond lengths are 2.73 Å. There are a spread of Mn–Al bond distances ranging from 2.41–2.69 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded to six equivalent Mn and six Al atoms to form face-sharing AlMn6Al6 cuboctahedra. All Al–Al bond lengths are 2.66 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Mn and eight Al atoms. There are four shorter (2.80 Å) and four longer (2.97 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Mn and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.80–3.00 Å. In the fourth Al site, Al is bonded in a 3-coordinate geometry to three equivalent Mn and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.80–3.00 Å. In the fifth Al site, Al is bonded in a 3-coordinate geometry to three equivalent Mn and ten Al atoms. The Al–Al bond length is 2.88 Å.},

  doi          = {10.17188/1191963},

  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/10.17188/1191963

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