Materials Data on Nb2(VSi)3 by Materials Project

doi:10.17188/1651741

Title: Materials Data on Nb2(VSi)3 by Materials Project

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Abstract

Nb2(VSi)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nb2+ is bonded to six equivalent Si4- atoms to form a mixture of edge, corner, and face-sharing NbSi6 octahedra. The corner-sharing octahedral tilt angles are 39°. All Nb–Si bond lengths are 2.64 Å. V+2.67+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of V–Si bond distances ranging from 2.46–2.76 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nb2+ and five equivalent V+2.67+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1220775

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; Nb2(VSi)3; Nb-Si-V

OSTI Identifier:: 1651741

DOI:: https://doi.org/10.17188/1651741

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                    The Materials Project. Materials Data on Nb2(VSi)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1651741.

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                    The Materials Project. Materials Data on Nb2(VSi)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651741

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                    The Materials Project. 2019.  
"Materials Data on Nb2(VSi)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651741.  https://www.osti.gov/servlets/purl/1651741. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1651741,

  title        = {Materials Data on Nb2(VSi)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb2(VSi)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nb2+ is bonded to six equivalent Si4- atoms to form a mixture of edge, corner, and face-sharing NbSi6 octahedra. The corner-sharing octahedral tilt angles are 39°. All Nb–Si bond lengths are 2.64 Å. V+2.67+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of V–Si bond distances ranging from 2.46–2.76 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nb2+ and five equivalent V+2.67+ atoms.},

  doi          = {10.17188/1651741},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1651741

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