Materials Data on Mn4FeC2 by Materials Project

doi:10.17188/1744808

Title: Materials Data on Mn4FeC2 by Materials Project

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Abstract

Mn4FeC2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a 2-coordinate geometry to three C atoms. There are a spread of Mn–C bond distances ranging from 1.97–2.20 Å. In the second Mn site, Mn is bonded to four C atoms to form distorted edge-sharing MnC4 tetrahedra. There are two shorter (2.02 Å) and two longer (2.04 Å) Mn–C bond lengths. In the third Mn site, Mn is bonded to four C atoms to form distorted edge-sharing MnC4 tetrahedra. There are two shorter (2.03 Å) and two longer (2.04 Å) Mn–C bond lengths. In the fourth Mn site, Mn is bonded in a distorted bent 150 degrees geometry to two C atoms. There is one shorter (1.99 Å) and one longer (2.00 Å) Mn–C bond length. In the fifth Mn site, Mn is bonded in a distorted bent 150 degrees geometry to two C atoms. There is one shorter (1.98 Å) and one longer (2.01 Å) Mn–C bond length. Fe is bonded in a 2-coordinate geometry to three C atoms. There are two shorter (1.95 Å) and one longer (2.24 Å) Fe–C bondmore »« less

Authors:: The Materials Project

Publication Date:: 2020-06-04

Other Number(s):: mp-1221861

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; Mn4FeC2; C-Fe-Mn

OSTI Identifier:: 1744808

DOI:: https://doi.org/10.17188/1744808

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                    The Materials Project. Materials Data on Mn4FeC2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744808.

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                    The Materials Project. Materials Data on Mn4FeC2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744808

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                    The Materials Project. 2020.  
"Materials Data on Mn4FeC2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744808.  https://www.osti.gov/servlets/purl/1744808. Pub date:Thu Jun 04 00:00:00 EDT 2020

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@article{osti_1744808,

  title        = {Materials Data on Mn4FeC2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn4FeC2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a 2-coordinate geometry to three C atoms. There are a spread of Mn–C bond distances ranging from 1.97–2.20 Å. In the second Mn site, Mn is bonded to four C atoms to form distorted edge-sharing MnC4 tetrahedra. There are two shorter (2.02 Å) and two longer (2.04 Å) Mn–C bond lengths. In the third Mn site, Mn is bonded to four C atoms to form distorted edge-sharing MnC4 tetrahedra. There are two shorter (2.03 Å) and two longer (2.04 Å) Mn–C bond lengths. In the fourth Mn site, Mn is bonded in a distorted bent 150 degrees geometry to two C atoms. There is one shorter (1.99 Å) and one longer (2.00 Å) Mn–C bond length. In the fifth Mn site, Mn is bonded in a distorted bent 150 degrees geometry to two C atoms. There is one shorter (1.98 Å) and one longer (2.01 Å) Mn–C bond length. Fe is bonded in a 2-coordinate geometry to three C atoms. There are two shorter (1.95 Å) and one longer (2.24 Å) Fe–C bond lengths. There are two inequivalent C sites. In the first C site, C is bonded in a 7-coordinate geometry to five Mn and two equivalent Fe atoms. In the second C site, C is bonded in a 7-coordinate geometry to six Mn and one Fe atom.},

  doi          = {10.17188/1744808},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1744808

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