Materials Data on Ta2CN3 by Materials Project

doi:10.17188/1316105

Title: Materials Data on Ta2CN3 by Materials Project

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Abstract

Ta2N3C crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional and consists of one methane molecule and one Ta2N3 framework. In the Ta2N3 framework, Ta+3.50+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge, face, and corner-sharing TaN6 pentagonal pyramids. All Ta–N bond lengths are 2.11 Å. N3- is bonded in a square co-planar geometry to four equivalent Ta+3.50+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-979265

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; Ta2CN3; C-N-Ta

OSTI Identifier:: 1316105

DOI:: https://doi.org/10.17188/1316105

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                    The Materials Project. Materials Data on Ta2CN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316105.

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                    The Materials Project. Materials Data on Ta2CN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316105

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                    The Materials Project. 2020.  
"Materials Data on Ta2CN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316105.  https://www.osti.gov/servlets/purl/1316105. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1316105,

  title        = {Materials Data on Ta2CN3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ta2N3C crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional and consists of one methane molecule and one Ta2N3 framework. In the Ta2N3 framework, Ta+3.50+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge, face, and corner-sharing TaN6 pentagonal pyramids. All Ta–N bond lengths are 2.11 Å. N3- is bonded in a square co-planar geometry to four equivalent Ta+3.50+ atoms.},

  doi          = {10.17188/1316105},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316105

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