Materials Data on NbVCN by Materials Project

doi:10.17188/1732818

Title: Materials Data on NbVCN by Materials Project

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Abstract

NbVCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Nb5+ is bonded to three equivalent C4- and three equivalent N3- atoms to form NbC3N3 octahedra that share corners with six equivalent VC3N3 octahedra, edges with six equivalent NbC3N3 octahedra, and edges with six equivalent VC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. All Nb–C bond lengths are 2.19 Å. All Nb–N bond lengths are 2.23 Å. V2+ is bonded to three equivalent C4- and three equivalent N3- atoms to form VC3N3 octahedra that share corners with six equivalent NbC3N3 octahedra, edges with six equivalent NbC3N3 octahedra, and edges with six equivalent VC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. All V–C bond lengths are 2.04 Å. All V–N bond lengths are 2.22 Å. C4- is bonded to three equivalent Nb5+ and three equivalent V2+ atoms to form CNb3V3 octahedra that share corners with six equivalent NNb3V3 octahedra, edges with six equivalent CNb3V3 octahedra, and edges with six equivalent NNb3V3 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. N3- is bonded to three equivalent Nb5+ and three equivalent V2+ atoms to form NNb3V3 octahedra that share corners withmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1220407

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; NbVCN; C-N-Nb-V

OSTI Identifier:: 1732818

DOI:: https://doi.org/10.17188/1732818

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                    The Materials Project. Materials Data on NbVCN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732818.

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                    The Materials Project. Materials Data on NbVCN by Materials Project.  United States.  doi:https://doi.org/10.17188/1732818

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                    The Materials Project. 2020.  
"Materials Data on NbVCN by Materials Project".  United States.  doi:https://doi.org/10.17188/1732818.  https://www.osti.gov/servlets/purl/1732818. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1732818,

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

  author       = {The Materials Project},

  abstractNote = {NbVCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Nb5+ is bonded to three equivalent C4- and three equivalent N3- atoms to form NbC3N3 octahedra that share corners with six equivalent VC3N3 octahedra, edges with six equivalent NbC3N3 octahedra, and edges with six equivalent VC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. All Nb–C bond lengths are 2.19 Å. All Nb–N bond lengths are 2.23 Å. V2+ is bonded to three equivalent C4- and three equivalent N3- atoms to form VC3N3 octahedra that share corners with six equivalent NbC3N3 octahedra, edges with six equivalent NbC3N3 octahedra, and edges with six equivalent VC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. All V–C bond lengths are 2.04 Å. All V–N bond lengths are 2.22 Å. C4- is bonded to three equivalent Nb5+ and three equivalent V2+ atoms to form CNb3V3 octahedra that share corners with six equivalent NNb3V3 octahedra, edges with six equivalent CNb3V3 octahedra, and edges with six equivalent NNb3V3 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. N3- is bonded to three equivalent Nb5+ and three equivalent V2+ atoms to form NNb3V3 octahedra that share corners with six equivalent CNb3V3 octahedra, edges with six equivalent CNb3V3 octahedra, and edges with six equivalent NNb3V3 octahedra. The corner-sharing octahedra tilt angles range from 1–7°.},

  doi          = {10.17188/1732818},

  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/10.17188/1732818

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