Materials Data on NbTe2 by Materials Project

doi:10.17188/1188143

Title: Materials Data on NbTe2 by Materials Project

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Abstract

NbTe2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one NbTe2 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Nb4+ sites. In the first Nb4+ site, Nb4+ is bonded to six Te2- atoms to form distorted edge-sharing NbTe6 octahedra. There are four shorter (2.85 Å) and two longer (2.92 Å) Nb–Te bond lengths. In the second Nb4+ site, Nb4+ is bonded to six Te2- atoms to form distorted edge-sharing NbTe6 octahedra. There are a spread of Nb–Te bond distances ranging from 2.70–2.94 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three Nb4+ atoms. In the second Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nb4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three Nb4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-11675

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; NbTe2; Nb-Te

OSTI Identifier:: 1188143

DOI:: https://doi.org/10.17188/1188143

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                    The Materials Project. Materials Data on NbTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188143.

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                    The Materials Project. Materials Data on NbTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188143

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                    The Materials Project. 2020.  
"Materials Data on NbTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188143.  https://www.osti.gov/servlets/purl/1188143. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1188143,

  title        = {Materials Data on NbTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NbTe2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one NbTe2 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Nb4+ sites. In the first Nb4+ site, Nb4+ is bonded to six Te2- atoms to form distorted edge-sharing NbTe6 octahedra. There are four shorter (2.85 Å) and two longer (2.92 Å) Nb–Te bond lengths. In the second Nb4+ site, Nb4+ is bonded to six Te2- atoms to form distorted edge-sharing NbTe6 octahedra. There are a spread of Nb–Te bond distances ranging from 2.70–2.94 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three Nb4+ atoms. In the second Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nb4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three Nb4+ atoms.},

  doi          = {10.17188/1188143},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1188143

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