Materials Data on NbSiAs by Materials Project

doi:10.17188/1197245

Title: Materials Data on NbSiAs by Materials Project

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Abstract

NbSiAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nb5+ is bonded in a 9-coordinate geometry to four equivalent Si4- and five equivalent As1- atoms. All Nb–Si bond lengths are 2.68 Å. There are four shorter (2.71 Å) and one longer (2.85 Å) Nb–As bond lengths. Si4- is bonded to four equivalent Nb5+ and four equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing SiNb4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.49 Å. As1- is bonded in a 5-coordinate geometry to five equivalent Nb5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-21907

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; NbSiAs; As-Nb-Si

OSTI Identifier:: 1197245

DOI:: https://doi.org/10.17188/1197245

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                    The Materials Project. Materials Data on NbSiAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197245.

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                    The Materials Project. Materials Data on NbSiAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1197245

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                    The Materials Project. 2020.  
"Materials Data on NbSiAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1197245.  https://www.osti.gov/servlets/purl/1197245. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1197245,

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

  author       = {The Materials Project},

  abstractNote = {NbSiAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nb5+ is bonded in a 9-coordinate geometry to four equivalent Si4- and five equivalent As1- atoms. All Nb–Si bond lengths are 2.68 Å. There are four shorter (2.71 Å) and one longer (2.85 Å) Nb–As bond lengths. Si4- is bonded to four equivalent Nb5+ and four equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing SiNb4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.49 Å. As1- is bonded in a 5-coordinate geometry to five equivalent Nb5+ atoms.},

  doi          = {10.17188/1197245},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197245

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