Materials Data on Y(Mn2Fe)4 by Materials Project

doi:10.17188/1316398

Title: Materials Data on Y(Mn2Fe)4 by Materials Project

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Abstract

Y(Mn2Fe)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve Mn and eight equivalent Fe atoms. There are four shorter (3.00 Å) and eight longer (3.05 Å) Y–Mn bond lengths. All Y–Fe bond lengths are 3.18 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 10-coordinate geometry to one Y, nine Mn, and four equivalent Fe atoms. There are a spread of Mn–Mn bond distances ranging from 2.37–2.89 Å. All Mn–Fe bond lengths are 2.57 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Y, four equivalent Mn, and four equivalent Fe atoms. All Mn–Fe bond lengths are 2.40 Å. Fe is bonded to two equivalent Y, eight Mn, and two equivalent Fe atoms to form a mixture of distorted edge, face, and corner-sharing FeY2Mn8Fe2 cuboctahedra. Both Fe–Fe bond lengths are 2.36 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-982188

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; Y(Mn2Fe)4; Fe-Mn-Y

OSTI Identifier:: 1316398

DOI:: https://doi.org/10.17188/1316398

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                    The Materials Project. Materials Data on Y(Mn2Fe)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316398.

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                    The Materials Project. Materials Data on Y(Mn2Fe)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316398

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                    The Materials Project. 2020.  
"Materials Data on Y(Mn2Fe)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316398.  https://www.osti.gov/servlets/purl/1316398. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1316398,

  title        = {Materials Data on Y(Mn2Fe)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y(Mn2Fe)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve Mn and eight equivalent Fe atoms. There are four shorter (3.00 Å) and eight longer (3.05 Å) Y–Mn bond lengths. All Y–Fe bond lengths are 3.18 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 10-coordinate geometry to one Y, nine Mn, and four equivalent Fe atoms. There are a spread of Mn–Mn bond distances ranging from 2.37–2.89 Å. All Mn–Fe bond lengths are 2.57 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Y, four equivalent Mn, and four equivalent Fe atoms. All Mn–Fe bond lengths are 2.40 Å. Fe is bonded to two equivalent Y, eight Mn, and two equivalent Fe atoms to form a mixture of distorted edge, face, and corner-sharing FeY2Mn8Fe2 cuboctahedra. Both Fe–Fe bond lengths are 2.36 Å.},

  doi          = {10.17188/1316398},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316398

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