Materials Data on Nb3Te4 by Materials Project

doi:10.17188/1290498

Title: Materials Data on Nb3Te4 by Materials Project

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Abstract

Nb3Te4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Nb+2.67+ is bonded to six Te2- atoms to form a mixture of distorted corner, edge, and face-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of Nb–Te bond distances ranging from 2.80–3.01 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four equivalent Nb+2.67+ atoms. In the second Te2- site, Te2- is bonded to six equivalent Nb+2.67+ atoms to form distorted face-sharing TeNb6 pentagonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-7564

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; Nb3Te4; Nb-Te

OSTI Identifier:: 1290498

DOI:: https://doi.org/10.17188/1290498

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                    The Materials Project. Materials Data on Nb3Te4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290498.

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                    The Materials Project. Materials Data on Nb3Te4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290498

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                    The Materials Project. 2020.  
"Materials Data on Nb3Te4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290498.  https://www.osti.gov/servlets/purl/1290498. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1290498,

  title        = {Materials Data on Nb3Te4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb3Te4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Nb+2.67+ is bonded to six Te2- atoms to form a mixture of distorted corner, edge, and face-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of Nb–Te bond distances ranging from 2.80–3.01 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four equivalent Nb+2.67+ atoms. In the second Te2- site, Te2- is bonded to six equivalent Nb+2.67+ atoms to form distorted face-sharing TeNb6 pentagonal pyramids.},

  doi          = {10.17188/1290498},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1290498

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