Materials Data on NbPt by Materials Project

doi:10.17188/1317554

Title: Materials Data on NbPt by Materials Project

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Abstract

NbPt is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Nb2+ is bonded to eight equivalent Pt2- atoms to form distorted NbPt8 hexagonal bipyramids that share corners with eighteen equivalent PtNb8Pt4 cuboctahedra, corners with eight equivalent NbPt8 hexagonal bipyramids, edges with four equivalent PtNb8Pt4 cuboctahedra, edges with twelve equivalent NbPt8 hexagonal bipyramids, faces with two equivalent PtNb8Pt4 cuboctahedra, and faces with six equivalent NbPt8 hexagonal bipyramids. There are a spread of Nb–Pt bond distances ranging from 2.82–2.92 Å. Pt2- is bonded to eight equivalent Nb2+ and four equivalent Pt2- atoms to form distorted PtNb8Pt4 cuboctahedra that share corners with ten equivalent PtNb8Pt4 cuboctahedra, corners with eighteen equivalent NbPt8 hexagonal bipyramids, edges with six equivalent PtNb8Pt4 cuboctahedra, edges with four equivalent NbPt8 hexagonal bipyramids, faces with twelve equivalent PtNb8Pt4 cuboctahedra, and faces with two equivalent NbPt8 hexagonal bipyramids. There are two shorter (2.83 Å) and two longer (2.92 Å) Pt–Pt bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-999376

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; NbPt; Nb-Pt

OSTI Identifier:: 1317554

DOI:: https://doi.org/10.17188/1317554

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                    The Materials Project. Materials Data on NbPt by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317554.

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                    The Materials Project. Materials Data on NbPt by Materials Project.  United States.  doi:https://doi.org/10.17188/1317554

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                    The Materials Project. 2020.  
"Materials Data on NbPt by Materials Project".  United States.  doi:https://doi.org/10.17188/1317554.  https://www.osti.gov/servlets/purl/1317554. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1317554,

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

  author       = {The Materials Project},

  abstractNote = {NbPt is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Nb2+ is bonded to eight equivalent Pt2- atoms to form distorted NbPt8 hexagonal bipyramids that share corners with eighteen equivalent PtNb8Pt4 cuboctahedra, corners with eight equivalent NbPt8 hexagonal bipyramids, edges with four equivalent PtNb8Pt4 cuboctahedra, edges with twelve equivalent NbPt8 hexagonal bipyramids, faces with two equivalent PtNb8Pt4 cuboctahedra, and faces with six equivalent NbPt8 hexagonal bipyramids. There are a spread of Nb–Pt bond distances ranging from 2.82–2.92 Å. Pt2- is bonded to eight equivalent Nb2+ and four equivalent Pt2- atoms to form distorted PtNb8Pt4 cuboctahedra that share corners with ten equivalent PtNb8Pt4 cuboctahedra, corners with eighteen equivalent NbPt8 hexagonal bipyramids, edges with six equivalent PtNb8Pt4 cuboctahedra, edges with four equivalent NbPt8 hexagonal bipyramids, faces with twelve equivalent PtNb8Pt4 cuboctahedra, and faces with two equivalent NbPt8 hexagonal bipyramids. There are two shorter (2.83 Å) and two longer (2.92 Å) Pt–Pt bond lengths.},

  doi          = {10.17188/1317554},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317554

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