Materials Data on FeCoB2 by Materials Project

doi:10.17188/1707466

Title: Materials Data on FeCoB2 by Materials Project

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Abstract

FeCoB2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Fe3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Fe–B bond distances ranging from 2.11–2.14 Å. Co3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Co–B bond distances ranging from 2.10–2.14 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Fe3+, three equivalent Co3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.82 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Fe3+, four equivalent Co3+, and two equivalent B3- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1224999

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; FeCoB2; B-Co-Fe

OSTI Identifier:: 1707466

DOI:: https://doi.org/10.17188/1707466

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                    The Materials Project. Materials Data on FeCoB2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707466.

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                    The Materials Project. Materials Data on FeCoB2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707466

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                    The Materials Project. 2020.  
"Materials Data on FeCoB2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707466.  https://www.osti.gov/servlets/purl/1707466. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1707466,

  title        = {Materials Data on FeCoB2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeCoB2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Fe3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Fe–B bond distances ranging from 2.11–2.14 Å. Co3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Co–B bond distances ranging from 2.10–2.14 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Fe3+, three equivalent Co3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.82 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Fe3+, four equivalent Co3+, and two equivalent B3- atoms.},

  doi          = {10.17188/1707466},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1707466

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