Materials Data on TcN by Materials Project

doi:10.17188/1317471

Title: Materials Data on TcN by Materials Project

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Abstract

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.

Publication Date:: 2020-07-15

Other Number(s):: mp-999117

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; N-Tc; TcN; crystal structure

OSTI Identifier:: 1317471

DOI:: https://doi.org/10.17188/1317471

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                    Materials Data on TcN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317471.

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                    Materials Data on TcN by Materials Project.  United States.  doi:https://doi.org/10.17188/1317471

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                    2020.  
"Materials Data on TcN by Materials Project".  United States.  doi:https://doi.org/10.17188/1317471.  https://www.osti.gov/servlets/purl/1317471. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1317471,

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

  
  abstractNote = {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.},

  doi          = {10.17188/1317471},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317471

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Materials Data on TcN by Materials Project

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TcN crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tc3+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Tc–N bond lengths are 2.03 Å. N3- is bonded in a square co-planar geometry to four equivalent Tc3+ atoms.
Materials Data on TcN by Materials Project

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