Materials Data on MnFeAs by Materials Project

doi:10.17188/1262765

Title: Materials Data on MnFeAs by Materials Project

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Abstract

MnFeAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Mn is bonded in a 9-coordinate geometry to four equivalent Fe and five equivalent As atoms. All Mn–Fe bond lengths are 2.66 Å. There are one shorter (2.53 Å) and four longer (2.66 Å) Mn–As bond lengths. Fe is bonded in a 12-coordinate geometry to four equivalent Mn, four equivalent Fe, and four equivalent As atoms. All Fe–Fe bond lengths are 2.63 Å. All Fe–As bond lengths are 2.38 Å. As is bonded in a 9-coordinate geometry to five equivalent Mn and four equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-505803

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:: 1262765

DOI:: https://doi.org/10.17188/1262765

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                    The Materials Project. Materials Data on MnFeAs by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1262765.

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                    The Materials Project. Materials Data on MnFeAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1262765

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                    The Materials Project. 2017.  
"Materials Data on MnFeAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1262765.  https://www.osti.gov/servlets/purl/1262765. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1262765,

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

  author       = {The Materials Project},

  abstractNote = {MnFeAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Mn is bonded in a 9-coordinate geometry to four equivalent Fe and five equivalent As atoms. All Mn–Fe bond lengths are 2.66 Å. There are one shorter (2.53 Å) and four longer (2.66 Å) Mn–As bond lengths. Fe is bonded in a 12-coordinate geometry to four equivalent Mn, four equivalent Fe, and four equivalent As atoms. All Fe–Fe bond lengths are 2.63 Å. All Fe–As bond lengths are 2.38 Å. As is bonded in a 9-coordinate geometry to five equivalent Mn and four equivalent Fe atoms.},

  doi          = {10.17188/1262765},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1262765

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