Materials Data on Nb3Si by Materials Project

doi:10.17188/1685116

Title: Materials Data on Nb3Si by Materials Project

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Abstract

Nb3Si crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 12-coordinate geometry to three equivalent Nb and three equivalent Si atoms. There are one shorter (2.83 Å) and two longer (2.84 Å) Nb–Nb bond lengths. All Nb–Si bond lengths are 2.65 Å. In the second Nb site, Nb is bonded to twelve Nb atoms to form a mixture of face, edge, and corner-sharing NbNb12 cuboctahedra. There are four shorter (3.17 Å) and two longer (3.21 Å) Nb–Nb bond lengths. Si is bonded in a 6-coordinate geometry to six equivalent Nb atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1220602

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; Nb3Si; Nb-Si

OSTI Identifier:: 1685116

DOI:: https://doi.org/10.17188/1685116

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                    The Materials Project. Materials Data on Nb3Si by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1685116.

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                    The Materials Project. Materials Data on Nb3Si by Materials Project.  United States.  doi:https://doi.org/10.17188/1685116

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                    The Materials Project. 2019.  
"Materials Data on Nb3Si by Materials Project".  United States.  doi:https://doi.org/10.17188/1685116.  https://www.osti.gov/servlets/purl/1685116. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1685116,

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

  author       = {The Materials Project},

  abstractNote = {Nb3Si crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 12-coordinate geometry to three equivalent Nb and three equivalent Si atoms. There are one shorter (2.83 Å) and two longer (2.84 Å) Nb–Nb bond lengths. All Nb–Si bond lengths are 2.65 Å. In the second Nb site, Nb is bonded to twelve Nb atoms to form a mixture of face, edge, and corner-sharing NbNb12 cuboctahedra. There are four shorter (3.17 Å) and two longer (3.21 Å) Nb–Nb bond lengths. Si is bonded in a 6-coordinate geometry to six equivalent Nb atoms.},

  doi          = {10.17188/1685116},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1685116

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