Materials Data on Fe3P by Materials Project

doi:10.17188/1193358

Title: Materials Data on Fe3P by Materials Project

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Abstract

Fe3P crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to four equivalent P atoms. There are a spread of Fe–P bond distances ranging from 2.27–2.33 Å. In the second Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent P atoms. There are one shorter (2.30 Å) and one longer (2.34 Å) Fe–P bond lengths. In the third Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Fe–P bond distances ranging from 2.25–2.39 Å. P is bonded in a 9-coordinate geometry to nine Fe atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-18708

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; Fe3P; Fe-P

OSTI Identifier:: 1193358

DOI:: https://doi.org/10.17188/1193358

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                    The Materials Project. Materials Data on Fe3P by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193358.

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                    The Materials Project. Materials Data on Fe3P by Materials Project.  United States.  doi:https://doi.org/10.17188/1193358

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                    The Materials Project. 2020.  
"Materials Data on Fe3P by Materials Project".  United States.  doi:https://doi.org/10.17188/1193358.  https://www.osti.gov/servlets/purl/1193358. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1193358,

  title        = {Materials Data on Fe3P by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe3P crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to four equivalent P atoms. There are a spread of Fe–P bond distances ranging from 2.27–2.33 Å. In the second Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent P atoms. There are one shorter (2.30 Å) and one longer (2.34 Å) Fe–P bond lengths. In the third Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Fe–P bond distances ranging from 2.25–2.39 Å. P is bonded in a 9-coordinate geometry to nine Fe atoms.},

  doi          = {10.17188/1193358},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193358

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