Materials Data on Fe5B2P by Materials Project

doi:10.17188/1316974

Title: Materials Data on Fe5B2P by Materials Project

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Abstract

Fe5PB2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Fe, three equivalent B, and two equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing FeFe2B3P2 trigonal bipyramids. Both Fe–Fe bond lengths are 2.48 Å. There are two shorter (2.15 Å) and one longer (2.16 Å) Fe–B bond lengths. Both Fe–P bond lengths are 2.33 Å. In the second Fe site, Fe is bonded in a 4-coordinate geometry to eight equivalent Fe, four equivalent B, and two equivalent P atoms. All Fe–B bond lengths are 2.17 Å. Both Fe–P bond lengths are 2.58 Å. B is bonded in a 9-coordinate geometry to eight Fe and one B atom. The B–B bond length is 1.84 Å. P is bonded in a 10-coordinate geometry to ten Fe atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-9913

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; Fe5B2P; B-Fe-P

OSTI Identifier:: 1316974

DOI:: https://doi.org/10.17188/1316974

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                    The Materials Project. Materials Data on Fe5B2P by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316974.

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                    The Materials Project. Materials Data on Fe5B2P by Materials Project.  United States.  doi:https://doi.org/10.17188/1316974

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                    The Materials Project. 2020.  
"Materials Data on Fe5B2P by Materials Project".  United States.  doi:https://doi.org/10.17188/1316974.  https://www.osti.gov/servlets/purl/1316974. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1316974,

  title        = {Materials Data on Fe5B2P by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe5PB2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Fe, three equivalent B, and two equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing FeFe2B3P2 trigonal bipyramids. Both Fe–Fe bond lengths are 2.48 Å. There are two shorter (2.15 Å) and one longer (2.16 Å) Fe–B bond lengths. Both Fe–P bond lengths are 2.33 Å. In the second Fe site, Fe is bonded in a 4-coordinate geometry to eight equivalent Fe, four equivalent B, and two equivalent P atoms. All Fe–B bond lengths are 2.17 Å. Both Fe–P bond lengths are 2.58 Å. B is bonded in a 9-coordinate geometry to eight Fe and one B atom. The B–B bond length is 1.84 Å. P is bonded in a 10-coordinate geometry to ten Fe atoms.},

  doi          = {10.17188/1316974},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316974

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