Materials Data on NbSiPt by Materials Project

doi:10.17188/1187141

Title: Materials Data on NbSiPt by Materials Project

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Abstract

NbPtSi 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 PtSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent PtSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Nb–Si bond distances ranging from 2.67–2.81 Å. Pt2+ is bonded to four equivalent Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent PtSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent PtSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Pt–Si bond distances ranging from 2.42–2.53 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Pt2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-10469

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; NbSiPt; Nb-Pt-Si

OSTI Identifier:: 1187141

DOI:: https://doi.org/10.17188/1187141

Citation Formats


                    The Materials Project. Materials Data on NbSiPt by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187141.

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                    The Materials Project. Materials Data on NbSiPt by Materials Project.  United States.  doi:https://doi.org/10.17188/1187141

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                    The Materials Project. 2020.  
"Materials Data on NbSiPt by Materials Project".  United States.  doi:https://doi.org/10.17188/1187141.  https://www.osti.gov/servlets/purl/1187141. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187141,

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

  author       = {The Materials Project},

  abstractNote = {NbPtSi 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 PtSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent PtSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Nb–Si bond distances ranging from 2.67–2.81 Å. Pt2+ is bonded to four equivalent Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent PtSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent PtSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Pt–Si bond distances ranging from 2.42–2.53 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Pt2+ atoms.},

  doi          = {10.17188/1187141},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1187141

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