Materials Data on MnFeAs by Materials Project

doi:10.17188/1207989

Title: Materials Data on MnFeAs by Materials Project

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Abstract

MnFeAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mn is bonded in a 11-coordinate geometry to six equivalent Fe and five As atoms. There are two shorter (2.74 Å) and four longer (2.81 Å) Mn–Fe bond lengths. There are one shorter (2.54 Å) and four longer (2.57 Å) Mn–As bond lengths. Fe is bonded in a 4-coordinate geometry to six equivalent Mn and four As atoms. There are two shorter (2.35 Å) and two longer (2.37 Å) Fe–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to three equivalent Mn and six equivalent Fe atoms. In the second As site, As is bonded in a 9-coordinate geometry to six equivalent Mn and three equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-4238

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; MnFeAs; As-Fe-Mn

OSTI Identifier:: 1207989

DOI:: https://doi.org/10.17188/1207989

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                    The Materials Project. Materials Data on MnFeAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207989.

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                    The Materials Project. Materials Data on MnFeAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1207989

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                    The Materials Project. 2020.  
"Materials Data on MnFeAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1207989.  https://www.osti.gov/servlets/purl/1207989. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1207989,

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

  author       = {The Materials Project},

  abstractNote = {MnFeAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mn is bonded in a 11-coordinate geometry to six equivalent Fe and five As atoms. There are two shorter (2.74 Å) and four longer (2.81 Å) Mn–Fe bond lengths. There are one shorter (2.54 Å) and four longer (2.57 Å) Mn–As bond lengths. Fe is bonded in a 4-coordinate geometry to six equivalent Mn and four As atoms. There are two shorter (2.35 Å) and two longer (2.37 Å) Fe–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to three equivalent Mn and six equivalent Fe atoms. In the second As site, As is bonded in a 9-coordinate geometry to six equivalent Mn and three equivalent Fe atoms.},

  doi          = {10.17188/1207989},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1207989

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