Materials Data on Mn7Fe3 by Materials Project

doi:10.17188/1732902

Title: Materials Data on Mn7Fe3 by Materials Project

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Abstract

Mn7Fe3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are seven inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to seven Mn and five Fe atoms. There are a spread of Mn–Mn bond distances ranging from 2.51–2.59 Å. There are a spread of Mn–Fe bond distances ranging from 2.43–2.56 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to eight Mn and four Fe atoms. There are a spread of Mn–Mn bond distances ranging from 2.43–2.62 Å. There are a spread of Mn–Fe bond distances ranging from 2.44–2.55 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to seven Mn and five Fe atoms. There are a spread of Mn–Mn bond distances ranging from 2.43–2.60 Å. There are a spread of Mn–Fe bond distances ranging from 2.47–2.57 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to eight Mn and four Fe atoms. There are a spread of Mn–Mn bond distances ranging from 2.54–2.61 Å. There are a spread of Mn–Fe bond distances ranging from 2.42–2.57 Å. In the fifth Mn site, Mn is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: 2020-06-05

Other Number(s):: mp-1221991

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; Mn7Fe3; Fe-Mn

OSTI Identifier:: 1732902

DOI:: https://doi.org/10.17188/1732902

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                    The Materials Project. Materials Data on Mn7Fe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732902.

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                    The Materials Project. Materials Data on Mn7Fe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732902

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                    The Materials Project. 2020.  
"Materials Data on Mn7Fe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732902.  https://www.osti.gov/servlets/purl/1732902. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1732902,

  title        = {Materials Data on Mn7Fe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn7Fe3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are seven inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to seven Mn and five Fe atoms. There are a spread of Mn–Mn bond distances ranging from 2.51–2.59 Å. There are a spread of Mn–Fe bond distances ranging from 2.43–2.56 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to eight Mn and four Fe atoms. There are a spread of Mn–Mn bond distances ranging from 2.43–2.62 Å. There are a spread of Mn–Fe bond distances ranging from 2.44–2.55 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to seven Mn and five Fe atoms. There are a spread of Mn–Mn bond distances ranging from 2.43–2.60 Å. There are a spread of Mn–Fe bond distances ranging from 2.47–2.57 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to eight Mn and four Fe atoms. There are a spread of Mn–Mn bond distances ranging from 2.54–2.61 Å. There are a spread of Mn–Fe bond distances ranging from 2.42–2.57 Å. In the fifth Mn site, Mn is bonded in a 12-coordinate geometry to eight Mn and four Fe atoms. There are one shorter (2.46 Å) and one longer (2.57 Å) Mn–Mn bond lengths. There are a spread of Mn–Fe bond distances ranging from 2.41–2.57 Å. In the sixth Mn site, Mn is bonded in a 12-coordinate geometry to seven Mn and five Fe atoms. The Mn–Mn bond length is 2.58 Å. There are a spread of Mn–Fe bond distances ranging from 2.45–2.57 Å. In the seventh Mn site, Mn is bonded in a 3-coordinate geometry to nine Mn and three Fe atoms. There are one shorter (2.26 Å) and two longer (2.29 Å) Mn–Fe bond lengths. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to nine Mn and three Fe atoms to form a mixture of distorted face and corner-sharing FeMn9Fe3 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.28–2.31 Å. In the second Fe site, Fe is bonded to ten Mn and two equivalent Fe atoms to form a mixture of distorted face and corner-sharing FeMn10Fe2 cuboctahedra. In the third Fe site, Fe is bonded to eleven Mn and one Fe atom to form a mixture of distorted face and corner-sharing FeMn11Fe cuboctahedra.},

  doi          = {10.17188/1732902},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1732902

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