Materials Data on B4Mo by Materials Project

doi:10.17188/1680849

Title: Materials Data on B4Mo by Materials Project

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Abstract

MoB4 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to twelve equivalent B+1.50- atoms to form a mixture of edge and face-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.34 Å. In the second Mo6+ site, Mo6+ is bonded to twelve equivalent B+1.50- atoms to form edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.18 Å. B+1.50- is bonded in a 7-coordinate geometry to three Mo6+ and four equivalent B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.77–2.22 Å.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1228687

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; B4Mo; B-Mo

OSTI Identifier:: 1680849

DOI:: https://doi.org/10.17188/1680849

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                    The Materials Project. Materials Data on B4Mo by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680849.

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                    The Materials Project. Materials Data on B4Mo by Materials Project.  United States.  doi:https://doi.org/10.17188/1680849

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                    The Materials Project. 2020.  
"Materials Data on B4Mo by Materials Project".  United States.  doi:https://doi.org/10.17188/1680849.  https://www.osti.gov/servlets/purl/1680849. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1680849,

  title        = {Materials Data on B4Mo by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoB4 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to twelve equivalent B+1.50- atoms to form a mixture of edge and face-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.34 Å. In the second Mo6+ site, Mo6+ is bonded to twelve equivalent B+1.50- atoms to form edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.18 Å. B+1.50- is bonded in a 7-coordinate geometry to three Mo6+ and four equivalent B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.77–2.22 Å.},

  doi          = {10.17188/1680849},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1680849

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