Materials Data on MnFeSi2 by Materials Project

doi:10.17188/1732515

Title: Materials Data on MnFeSi2 by Materials Project

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Abstract

MnFeSi2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Mn is bonded in a 7-coordinate geometry to four equivalent Fe and seven Si atoms. There are a spread of Mn–Fe bond distances ranging from 2.74–2.77 Å. There are a spread of Mn–Si bond distances ranging from 2.29–2.52 Å. Fe is bonded in a 4-coordinate geometry to four equivalent Mn, two equivalent Fe, and seven Si atoms. Both Fe–Fe bond lengths are 2.77 Å. There are a spread of Fe–Si bond distances ranging from 2.27–2.51 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to four equivalent Mn and three equivalent Fe atoms. In the second Si site, Si is bonded in a 5-coordinate geometry to three equivalent Mn and four equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-05

Other Number(s):: mp-1221619

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; MnFeSi2; Fe-Mn-Si

OSTI Identifier:: 1732515

DOI:: https://doi.org/10.17188/1732515

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                    The Materials Project. Materials Data on MnFeSi2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732515.

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                    The Materials Project. Materials Data on MnFeSi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732515

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                    The Materials Project. 2020.  
"Materials Data on MnFeSi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732515.  https://www.osti.gov/servlets/purl/1732515. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1732515,

  title        = {Materials Data on MnFeSi2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnFeSi2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Mn is bonded in a 7-coordinate geometry to four equivalent Fe and seven Si atoms. There are a spread of Mn–Fe bond distances ranging from 2.74–2.77 Å. There are a spread of Mn–Si bond distances ranging from 2.29–2.52 Å. Fe is bonded in a 4-coordinate geometry to four equivalent Mn, two equivalent Fe, and seven Si atoms. Both Fe–Fe bond lengths are 2.77 Å. There are a spread of Fe–Si bond distances ranging from 2.27–2.51 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to four equivalent Mn and three equivalent Fe atoms. In the second Si site, Si is bonded in a 5-coordinate geometry to three equivalent Mn and four equivalent Fe atoms.},

  doi          = {10.17188/1732515},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1732515

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