Materials Data on B2Mo by Materials Project

doi:10.17188/1199416

Title: Materials Data on B2Mo by Materials Project

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Abstract

MoB2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mo6+ is bonded in a 10-coordinate geometry to ten B3- atoms. There are a spread of Mo–B bond distances ranging from 2.22–2.38 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 3-coordinate geometry to six equivalent Mo6+ and three equivalent B3- atoms. All B–B bond lengths are 1.75 Å. In the second B3- site, B3- is bonded in a 7-coordinate geometry to four equivalent Mo6+ and three equivalent B3- atoms. All B–B bond lengths are 1.86 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-2331

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; B2Mo; B-Mo

OSTI Identifier:: 1199416

DOI:: https://doi.org/10.17188/1199416

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                    The Materials Project. Materials Data on B2Mo by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199416.

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                    The Materials Project. Materials Data on B2Mo by Materials Project.  United States.  doi:https://doi.org/10.17188/1199416

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                    The Materials Project. 2020.  
"Materials Data on B2Mo by Materials Project".  United States.  doi:https://doi.org/10.17188/1199416.  https://www.osti.gov/servlets/purl/1199416. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199416,

  title        = {Materials Data on B2Mo by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoB2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mo6+ is bonded in a 10-coordinate geometry to ten B3- atoms. There are a spread of Mo–B bond distances ranging from 2.22–2.38 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 3-coordinate geometry to six equivalent Mo6+ and three equivalent B3- atoms. All B–B bond lengths are 1.75 Å. In the second B3- site, B3- is bonded in a 7-coordinate geometry to four equivalent Mo6+ and three equivalent B3- atoms. All B–B bond lengths are 1.86 Å.},

  doi          = {10.17188/1199416},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199416

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