Materials Data on NbCoSi by Materials Project

doi:10.17188/1721886

Title: Materials Data on NbCoSi by Materials Project

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Abstract

NbCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb2+ is bonded to five equivalent Si4- atoms to form distorted NbSi5 trigonal bipyramids that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent CoSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are three shorter (2.64 Å) and two longer (2.66 Å) Nb–Si bond lengths. Co2+ is bonded to four equivalent Si4- atoms to form CoSi4 tetrahedra that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Co–Si bond distances ranging from 2.30–2.41 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Co2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1095573

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; NbCoSi; Co-Nb-Si

OSTI Identifier:: 1721886

DOI:: https://doi.org/10.17188/1721886

Citation Formats


                    The Materials Project. Materials Data on NbCoSi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1721886.

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                    The Materials Project. Materials Data on NbCoSi by Materials Project.  United States.  doi:https://doi.org/10.17188/1721886

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                    The Materials Project. 2020.  
"Materials Data on NbCoSi by Materials Project".  United States.  doi:https://doi.org/10.17188/1721886.  https://www.osti.gov/servlets/purl/1721886. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1721886,

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

  author       = {The Materials Project},

  abstractNote = {NbCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb2+ is bonded to five equivalent Si4- atoms to form distorted NbSi5 trigonal bipyramids that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent CoSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are three shorter (2.64 Å) and two longer (2.66 Å) Nb–Si bond lengths. Co2+ is bonded to four equivalent Si4- atoms to form CoSi4 tetrahedra that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Co–Si bond distances ranging from 2.30–2.41 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Co2+ atoms.},

  doi          = {10.17188/1721886},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1721886

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