Materials Data on NbFeTe2 by Materials Project

doi:10.17188/1277863

Title: Materials Data on NbFeTe2 by Materials Project

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Abstract

NbFeTe2 crystallizes in the orthorhombic Pmna space group. The structure is two-dimensional and consists of one NbFeTe2 sheet oriented in the (0, 1, 0) direction. Nb2+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are two shorter (2.83 Å) and two longer (2.86 Å) Nb–Te bond lengths. Fe2+ is bonded in a 5-coordinate geometry to one Fe2+ and four Te2- atoms. The Fe–Fe bond length is 2.46 Å. There are a spread of Fe–Te bond distances ranging from 2.61–2.64 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Nb2+ and two equivalent Fe2+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Nb2+ and two equivalent Fe2+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-616481

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; NbFeTe2; Fe-Nb-Te

OSTI Identifier:: 1277863

DOI:: https://doi.org/10.17188/1277863

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                    The Materials Project. Materials Data on NbFeTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277863.

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                    The Materials Project. Materials Data on NbFeTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277863

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                    The Materials Project. 2020.  
"Materials Data on NbFeTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277863.  https://www.osti.gov/servlets/purl/1277863. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1277863,

  title        = {Materials Data on NbFeTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NbFeTe2 crystallizes in the orthorhombic Pmna space group. The structure is two-dimensional and consists of one NbFeTe2 sheet oriented in the (0, 1, 0) direction. Nb2+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are two shorter (2.83 Å) and two longer (2.86 Å) Nb–Te bond lengths. Fe2+ is bonded in a 5-coordinate geometry to one Fe2+ and four Te2- atoms. The Fe–Fe bond length is 2.46 Å. There are a spread of Fe–Te bond distances ranging from 2.61–2.64 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Nb2+ and two equivalent Fe2+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Nb2+ and two equivalent Fe2+ atoms.},

  doi          = {10.17188/1277863},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277863

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