Materials Data on Fe25Mo4 by Materials Project

doi:10.17188/1743951

Title: Materials Data on Fe25Mo4 by Materials Project

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Abstract

Mo4Fe25 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. Mo is bonded in a 3-coordinate geometry to sixteen Fe atoms. There are a spread of Mo–Fe bond distances ranging from 2.50–3.00 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to four equivalent Mo and twelve equivalent Fe atoms. All Fe–Fe bond lengths are 2.76 Å. In the second Fe site, Fe is bonded in a 1-coordinate geometry to two equivalent Mo and eleven Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.36–2.68 Å. In the third Fe site, Fe is bonded to three equivalent Mo and nine Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeFe9Mo3 cuboctahedra. There are one shorter (2.33 Å) and two longer (2.37 Å) Fe–Fe bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-06-04

Other Number(s):: mp-1193426

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; Fe25Mo4; Fe-Mo

OSTI Identifier:: 1743951

DOI:: https://doi.org/10.17188/1743951

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                    The Materials Project. Materials Data on Fe25Mo4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743951.

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                    The Materials Project. Materials Data on Fe25Mo4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1743951

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                    The Materials Project. 2020.  
"Materials Data on Fe25Mo4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1743951.  https://www.osti.gov/servlets/purl/1743951. Pub date:Thu Jun 04 00:00:00 EDT 2020

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@article{osti_1743951,

  title        = {Materials Data on Fe25Mo4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mo4Fe25 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. Mo is bonded in a 3-coordinate geometry to sixteen Fe atoms. There are a spread of Mo–Fe bond distances ranging from 2.50–3.00 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to four equivalent Mo and twelve equivalent Fe atoms. All Fe–Fe bond lengths are 2.76 Å. In the second Fe site, Fe is bonded in a 1-coordinate geometry to two equivalent Mo and eleven Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.36–2.68 Å. In the third Fe site, Fe is bonded to three equivalent Mo and nine Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeFe9Mo3 cuboctahedra. There are one shorter (2.33 Å) and two longer (2.37 Å) Fe–Fe bond lengths.},

  doi          = {10.17188/1743951},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1743951

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