Materials Data on Mn4Fe2P3 by Materials Project

doi:10.17188/1707037

Title: Materials Data on Mn4Fe2P3 by Materials Project

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Abstract

Mn4Fe2P3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are three shorter (2.46 Å) and two longer (2.47 Å) Mn–P bond lengths. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four Fe and four P atoms. There are two shorter (2.64 Å) and two longer (2.68 Å) Mn–Fe bond lengths. There are a spread of Mn–P bond distances ranging from 2.28–2.32 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to four Fe and four P atoms. There are two shorter (2.63 Å) and two longer (2.69 Å) Mn–Fe bond lengths. There are a spread of Mn–P bond distances ranging from 2.28–2.31 Å. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to four Fe and four P atoms. All Mn–Fe bond lengths are 2.70 Å. There are a spread of Mn–P bond distances ranging from 2.26–2.31 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 11-coordinate geometry to six Mn and five Pmore »« less

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1221794

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; Mn4Fe2P3; Fe-Mn-P

OSTI Identifier:: 1707037

DOI:: https://doi.org/10.17188/1707037

Citation Formats


                    The Materials Project. Materials Data on Mn4Fe2P3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1707037.

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                    The Materials Project. Materials Data on Mn4Fe2P3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707037

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                    The Materials Project. 2019.  
"Materials Data on Mn4Fe2P3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707037.  https://www.osti.gov/servlets/purl/1707037. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1707037,

  title        = {Materials Data on Mn4Fe2P3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn4Fe2P3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are three shorter (2.46 Å) and two longer (2.47 Å) Mn–P bond lengths. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four Fe and four P atoms. There are two shorter (2.64 Å) and two longer (2.68 Å) Mn–Fe bond lengths. There are a spread of Mn–P bond distances ranging from 2.28–2.32 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to four Fe and four P atoms. There are two shorter (2.63 Å) and two longer (2.69 Å) Mn–Fe bond lengths. There are a spread of Mn–P bond distances ranging from 2.28–2.31 Å. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to four Fe and four P atoms. All Mn–Fe bond lengths are 2.70 Å. There are a spread of Mn–P bond distances ranging from 2.26–2.31 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 11-coordinate geometry to six Mn and five P atoms. There are a spread of Fe–P bond distances ranging from 2.45–2.50 Å. In the second Fe site, Fe is bonded in a 11-coordinate geometry to six Mn and five P atoms. There are a spread of Fe–P bond distances ranging from 2.45–2.50 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to five Mn and four Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to five Mn and four Fe atoms. In the third P site, P is bonded in a 9-coordinate geometry to seven Mn and two Fe atoms.},

  doi          = {10.17188/1707037},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1707037

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