Materials Data on TiVN2 by Materials Project

doi:10.17188/1674516

Title: Materials Data on TiVN2 by Materials Project

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Abstract

TiVN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent N3- atoms to form TiN6 octahedra that share corners with six equivalent VN6 octahedra, edges with six equivalent TiN6 octahedra, and edges with six equivalent VN6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Ti–N bond lengths are 2.10 Å. V2+ is bonded to six equivalent N3- atoms to form VN6 octahedra that share corners with six equivalent TiN6 octahedra, edges with six equivalent TiN6 octahedra, and edges with six equivalent VN6 octahedra. The corner-sharing octahedral tilt angles are 1°. All V–N bond lengths are 2.08 Å. N3- is bonded to three equivalent Ti4+ and three equivalent V2+ atoms to form a mixture of edge and corner-sharing NTi3V3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1216767

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; TiVN2; N-Ti-V

OSTI Identifier:: 1674516

DOI:: https://doi.org/10.17188/1674516

Citation Formats


                    The Materials Project. Materials Data on TiVN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1674516.

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                    The Materials Project. Materials Data on TiVN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1674516

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                    The Materials Project. 2020.  
"Materials Data on TiVN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1674516.  https://www.osti.gov/servlets/purl/1674516. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1674516,

  title        = {Materials Data on TiVN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TiVN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent N3- atoms to form TiN6 octahedra that share corners with six equivalent VN6 octahedra, edges with six equivalent TiN6 octahedra, and edges with six equivalent VN6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Ti–N bond lengths are 2.10 Å. V2+ is bonded to six equivalent N3- atoms to form VN6 octahedra that share corners with six equivalent TiN6 octahedra, edges with six equivalent TiN6 octahedra, and edges with six equivalent VN6 octahedra. The corner-sharing octahedral tilt angles are 1°. All V–N bond lengths are 2.08 Å. N3- is bonded to three equivalent Ti4+ and three equivalent V2+ atoms to form a mixture of edge and corner-sharing NTi3V3 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1674516},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1674516

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