Materials Data on NbVB4 by Materials Project

doi:10.17188/1666927

Title: Materials Data on NbVB4 by Materials Project

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Abstract

NbVB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nb2+ is bonded to twelve equivalent B+1.50- atoms to form NbB12 cuboctahedra that share edges with twelve equivalent VB12 cuboctahedra, faces with two equivalent VB12 cuboctahedra, and faces with six equivalent NbB12 cuboctahedra. All Nb–B bond lengths are 2.44 Å. V4+ is bonded to twelve equivalent B+1.50- atoms to form VB12 cuboctahedra that share edges with twelve equivalent NbB12 cuboctahedra, faces with two equivalent NbB12 cuboctahedra, and faces with six equivalent VB12 cuboctahedra. All V–B bond lengths are 2.32 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Nb2+, three equivalent V4+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.77 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-1220351

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; NbVB4; B-Nb-V

OSTI Identifier:: 1666927

DOI:: https://doi.org/10.17188/1666927

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                    The Materials Project. Materials Data on NbVB4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1666927.

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                    The Materials Project. Materials Data on NbVB4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1666927

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                    The Materials Project. 2020.  
"Materials Data on NbVB4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1666927.  https://www.osti.gov/servlets/purl/1666927. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1666927,

  title        = {Materials Data on NbVB4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NbVB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nb2+ is bonded to twelve equivalent B+1.50- atoms to form NbB12 cuboctahedra that share edges with twelve equivalent VB12 cuboctahedra, faces with two equivalent VB12 cuboctahedra, and faces with six equivalent NbB12 cuboctahedra. All Nb–B bond lengths are 2.44 Å. V4+ is bonded to twelve equivalent B+1.50- atoms to form VB12 cuboctahedra that share edges with twelve equivalent NbB12 cuboctahedra, faces with two equivalent NbB12 cuboctahedra, and faces with six equivalent VB12 cuboctahedra. All V–B bond lengths are 2.32 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Nb2+, three equivalent V4+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.77 Å.},

  doi          = {10.17188/1666927},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1666927

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