Materials Data on Nb3Si by Materials Project

doi:10.17188/1192729

Title: Materials Data on Nb3Si by Materials Project

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Abstract

Nb3Si crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to two equivalent Si atoms. There are one shorter (2.62 Å) and one longer (2.66 Å) Nb–Si bond lengths. In the second Nb site, Nb is bonded in a 4-coordinate geometry to four equivalent Si atoms. There are a spread of Nb–Si bond distances ranging from 2.60–2.72 Å. In the third Nb site, Nb is bonded in a 2-coordinate geometry to three equivalent Si atoms. There are a spread of Nb–Si bond distances ranging from 2.59–2.87 Å. Si is bonded in a 9-coordinate geometry to nine Nb atoms.

Publication Date:: 2020-07-23

Other Number(s):: mp-17848

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; Nb-Si; Nb3Si; crystal structure

OSTI Identifier:: 1192729

DOI:: https://doi.org/10.17188/1192729

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                    Materials Data on Nb3Si by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192729.

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                    Materials Data on Nb3Si by Materials Project.  United States.  doi:https://doi.org/10.17188/1192729

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                    2020.  
"Materials Data on Nb3Si by Materials Project".  United States.  doi:https://doi.org/10.17188/1192729.  https://www.osti.gov/servlets/purl/1192729. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1192729,

  title        = {Materials Data on Nb3Si by Materials Project},

  
  abstractNote = {Nb3Si crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to two equivalent Si atoms. There are one shorter (2.62 Å) and one longer (2.66 Å) Nb–Si bond lengths. In the second Nb site, Nb is bonded in a 4-coordinate geometry to four equivalent Si atoms. There are a spread of Nb–Si bond distances ranging from 2.60–2.72 Å. In the third Nb site, Nb is bonded in a 2-coordinate geometry to three equivalent Si atoms. There are a spread of Nb–Si bond distances ranging from 2.59–2.87 Å. Si is bonded in a 9-coordinate geometry to nine Nb atoms.},

  doi          = {10.17188/1192729},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192729

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