Materials Data on MnAl2Cr3 by Materials Project

doi:10.17188/1677975

Title: Materials Data on MnAl2Cr3 by Materials Project

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Abstract

Cr3MnAl2 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a 8-coordinate geometry to four equivalent Cr and five Al atoms. All Cr–Cr bond lengths are 2.36 Å. There are four shorter (2.62 Å) and one longer (2.76 Å) Cr–Al bond lengths. In the second Cr site, Cr is bonded in a 8-coordinate geometry to four equivalent Mn and five Al atoms. All Cr–Mn bond lengths are 2.39 Å. There are four shorter (2.60 Å) and one longer (2.75 Å) Cr–Al bond lengths. In the third Cr site, Cr is bonded in a 8-coordinate geometry to four equivalent Cr and five Al atoms. There are four shorter (2.62 Å) and one longer (2.76 Å) Cr–Al bond lengths. Mn is bonded in a 8-coordinate geometry to four equivalent Cr and five Al atoms. There are four shorter (2.57 Å) and one longer (2.79 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 8-coordinate geometry to six Cr, four equivalent Mn, and four equivalent Al atoms. All Al–Al bond lengths are 2.92 Å. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-06-05

Other Number(s):: mp-1221662

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; MnAl2Cr3; Al-Cr-Mn

OSTI Identifier:: 1677975

DOI:: https://doi.org/10.17188/1677975

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                    The Materials Project. Materials Data on MnAl2Cr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677975.

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                    The Materials Project. Materials Data on MnAl2Cr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677975

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                    The Materials Project. 2020.  
"Materials Data on MnAl2Cr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677975.  https://www.osti.gov/servlets/purl/1677975. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1677975,

  title        = {Materials Data on MnAl2Cr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr3MnAl2 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a 8-coordinate geometry to four equivalent Cr and five Al atoms. All Cr–Cr bond lengths are 2.36 Å. There are four shorter (2.62 Å) and one longer (2.76 Å) Cr–Al bond lengths. In the second Cr site, Cr is bonded in a 8-coordinate geometry to four equivalent Mn and five Al atoms. All Cr–Mn bond lengths are 2.39 Å. There are four shorter (2.60 Å) and one longer (2.75 Å) Cr–Al bond lengths. In the third Cr site, Cr is bonded in a 8-coordinate geometry to four equivalent Cr and five Al atoms. There are four shorter (2.62 Å) and one longer (2.76 Å) Cr–Al bond lengths. Mn is bonded in a 8-coordinate geometry to four equivalent Cr and five Al atoms. There are four shorter (2.57 Å) and one longer (2.79 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 8-coordinate geometry to six Cr, four equivalent Mn, and four equivalent Al atoms. All Al–Al bond lengths are 2.92 Å. In the second Al site, Al is bonded in a 8-coordinate geometry to nine Cr, one Mn, and four equivalent Al atoms. All Al–Al bond lengths are 2.92 Å.},

  doi          = {10.17188/1677975},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1677975

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