Materials Data on B24Mo7 by Materials Project

doi:10.17188/1664159

Title: Materials Data on B24Mo7 by Materials Project

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Abstract

Mo7B24 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are five inequivalent Mo+2.57+ sites. In the first Mo+2.57+ site, Mo+2.57+ is bonded to twelve equivalent B+0.75- atoms to form edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.26 Å. In the second Mo+2.57+ site, Mo+2.57+ is bonded to twelve equivalent B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.34 Å. In the third Mo+2.57+ site, Mo+2.57+ is bonded to twelve B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. There are six shorter (2.33 Å) and six longer (2.34 Å) Mo–B bond lengths. In the fourth Mo+2.57+ site, Mo+2.57+ is bonded to twelve equivalent B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.35 Å. In the fifth Mo+2.57+ site, Mo+2.57+ is bonded to twelve B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. There are six shorter (2.33 Å) and six longer (2.36 Å) Mo–B bond lengths. There are two inequivalent B+0.75- sites. In the first B+0.75- site, B+0.75- is bonded in a 6-coordinate geometry to three Mo+2.57+ and three equivalent B+0.75-more »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1228730

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; B24Mo7; B-Mo

OSTI Identifier:: 1664159

DOI:: https://doi.org/10.17188/1664159

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                    The Materials Project. Materials Data on B24Mo7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1664159.

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                    The Materials Project. Materials Data on B24Mo7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1664159

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                    The Materials Project. 2020.  
"Materials Data on B24Mo7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1664159.  https://www.osti.gov/servlets/purl/1664159. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1664159,

  title        = {Materials Data on B24Mo7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mo7B24 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are five inequivalent Mo+2.57+ sites. In the first Mo+2.57+ site, Mo+2.57+ is bonded to twelve equivalent B+0.75- atoms to form edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.26 Å. In the second Mo+2.57+ site, Mo+2.57+ is bonded to twelve equivalent B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.34 Å. In the third Mo+2.57+ site, Mo+2.57+ is bonded to twelve B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. There are six shorter (2.33 Å) and six longer (2.34 Å) Mo–B bond lengths. In the fourth Mo+2.57+ site, Mo+2.57+ is bonded to twelve equivalent B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.35 Å. In the fifth Mo+2.57+ site, Mo+2.57+ is bonded to twelve B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. There are six shorter (2.33 Å) and six longer (2.36 Å) Mo–B bond lengths. There are two inequivalent B+0.75- sites. In the first B+0.75- site, B+0.75- is bonded in a 6-coordinate geometry to three Mo+2.57+ and three equivalent B+0.75- atoms. There is two shorter (1.74 Å) and one longer (1.76 Å) B–B bond length. In the second B+0.75- site, B+0.75- is bonded in a 3-coordinate geometry to four Mo+2.57+ and three equivalent B+0.75- atoms. There are a spread of B–B bond distances ranging from 1.72–1.76 Å.},

  doi          = {10.17188/1664159},

  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/10.17188/1664159

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