Materials Data on Fe2B4Mo by Materials Project

doi:10.17188/1191340

Title: Materials Data on Fe2B4Mo by Materials Project

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Abstract

MoFe2B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Mo2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing MoB12 cuboctahedra. There are eight shorter (2.35 Å) and four longer (2.47 Å) Mo–B bond lengths. Fe2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Fe–B bond distances ranging from 2.06–2.19 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Mo2+, two equivalent Fe2+, and three B+1.50- atoms. There is two shorter (1.79 Å) and one longer (1.87 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 7-coordinate geometry to two equivalent Mo2+, five equivalent Fe2+, and two equivalent B+1.50- atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-15722

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; Fe2B4Mo; B-Fe-Mo

OSTI Identifier:: 1191340

DOI:: https://doi.org/10.17188/1191340

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                    The Materials Project. Materials Data on Fe2B4Mo by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191340.

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                    The Materials Project. Materials Data on Fe2B4Mo by Materials Project.  United States.  doi:https://doi.org/10.17188/1191340

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                    The Materials Project. 2020.  
"Materials Data on Fe2B4Mo by Materials Project".  United States.  doi:https://doi.org/10.17188/1191340.  https://www.osti.gov/servlets/purl/1191340. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1191340,

  title        = {Materials Data on Fe2B4Mo by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoFe2B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Mo2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing MoB12 cuboctahedra. There are eight shorter (2.35 Å) and four longer (2.47 Å) Mo–B bond lengths. Fe2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Fe–B bond distances ranging from 2.06–2.19 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Mo2+, two equivalent Fe2+, and three B+1.50- atoms. There is two shorter (1.79 Å) and one longer (1.87 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 7-coordinate geometry to two equivalent Mo2+, five equivalent Fe2+, and two equivalent B+1.50- atoms.},

  doi          = {10.17188/1191340},

  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/10.17188/1191340

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