Materials Data on TcN by Materials Project

doi:10.17188/1317416

Title: Materials Data on TcN by Materials Project

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Abstract

TcN is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tc3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing TcN6 pentagonal pyramids. All Tc–N bond lengths are 2.18 Å. N3- is bonded to six equivalent Tc3+ atoms to form a mixture of distorted corner, edge, and face-sharing NTc6 pentagonal pyramids.

Authors:: The Materials Project

Publication Date:: Tue May 09 00:00:00 EDT 2017

Other Number(s):: mp-998900

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; TcN; N-Tc

OSTI Identifier:: 1317416

DOI:: https://doi.org/10.17188/1317416

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                    The Materials Project. Materials Data on TcN by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1317416.

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                    The Materials Project. Materials Data on TcN by Materials Project.  United States.  doi:https://doi.org/10.17188/1317416

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                    The Materials Project. 2017.  
"Materials Data on TcN by Materials Project".  United States.  doi:https://doi.org/10.17188/1317416.  https://www.osti.gov/servlets/purl/1317416. Pub date:Tue May 09 00:00:00 EDT 2017

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@article{osti_1317416,

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

  author       = {The Materials Project},

  abstractNote = {TcN is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tc3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing TcN6 pentagonal pyramids. All Tc–N bond lengths are 2.18 Å. N3- is bonded to six equivalent Tc3+ atoms to form a mixture of distorted corner, edge, and face-sharing NTc6 pentagonal pyramids.},

  doi          = {10.17188/1317416},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 09 00:00:00 EDT 2017},

  month        = {Tue May 09 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1317416

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Materials Data on TcN by Materials Project

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TcN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc3+ is bonded to four equivalent N3- atoms to form corner-sharing TcN4 tetrahedra. All Tc–N bond lengths are 1.99 Å. N3- is bonded to four equivalent Tc3+ atoms to form corner-sharing NTc4 tetrahedra.
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Materials Data on TcN by Materials Project

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TcN is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc3+ is bonded to six equivalent N3- atoms to form a mixture of corner, edge, and face-sharing TcN6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Tc–N bond lengths are 2.17 Å. N3- is bonded to six equivalent Tc3+ atoms to form a mixture of distorted corner and edge-sharing NTc6 pentagonal pyramids.
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