Materials Data on CoBMo by Materials Project

doi:10.17188/1196795

Title: Materials Data on CoBMo by Materials Project

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Abstract

CoMoB crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mo2+ is bonded to five equivalent B3- atoms to form distorted MoB5 trigonal bipyramids that share corners with eight equivalent CoB4 tetrahedra, corners with eight equivalent MoB5 trigonal bipyramids, edges with six equivalent CoB4 tetrahedra, and edges with six equivalent MoB5 trigonal bipyramids. There are four shorter (2.39 Å) and one longer (2.43 Å) Mo–B bond lengths. Co1+ is bonded to four equivalent B3- atoms to form CoB4 tetrahedra that share corners with eight equivalent CoB4 tetrahedra, corners with eight equivalent MoB5 trigonal bipyramids, edges with two equivalent CoB4 tetrahedra, and edges with six equivalent MoB5 trigonal bipyramids. There are a spread of Co–B bond distances ranging from 2.08–2.23 Å. B3- is bonded in a 9-coordinate geometry to five equivalent Mo2+ and four equivalent Co1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-21347

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; CoBMo; B-Co-Mo

OSTI Identifier:: 1196795

DOI:: https://doi.org/10.17188/1196795

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                    The Materials Project. Materials Data on CoBMo by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196795.

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                    The Materials Project. Materials Data on CoBMo by Materials Project.  United States.  doi:https://doi.org/10.17188/1196795

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                    The Materials Project. 2020.  
"Materials Data on CoBMo by Materials Project".  United States.  doi:https://doi.org/10.17188/1196795.  https://www.osti.gov/servlets/purl/1196795. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1196795,

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

  author       = {The Materials Project},

  abstractNote = {CoMoB crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mo2+ is bonded to five equivalent B3- atoms to form distorted MoB5 trigonal bipyramids that share corners with eight equivalent CoB4 tetrahedra, corners with eight equivalent MoB5 trigonal bipyramids, edges with six equivalent CoB4 tetrahedra, and edges with six equivalent MoB5 trigonal bipyramids. There are four shorter (2.39 Å) and one longer (2.43 Å) Mo–B bond lengths. Co1+ is bonded to four equivalent B3- atoms to form CoB4 tetrahedra that share corners with eight equivalent CoB4 tetrahedra, corners with eight equivalent MoB5 trigonal bipyramids, edges with two equivalent CoB4 tetrahedra, and edges with six equivalent MoB5 trigonal bipyramids. There are a spread of Co–B bond distances ranging from 2.08–2.23 Å. B3- is bonded in a 9-coordinate geometry to five equivalent Mo2+ and four equivalent Co1+ atoms.},

  doi          = {10.17188/1196795},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1196795

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