Materials Data on Nb3Ni by Materials Project

doi:10.17188/1317563

Title: Materials Data on Nb3Ni by Materials Project

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Abstract

Nb3Ni is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to eight equivalent Nb and four equivalent Ni atoms to form distorted NbNb8Ni4 cuboctahedra that share corners with four equivalent NbNb8Ni4 cuboctahedra, corners with eight equivalent NiNb12 cuboctahedra, edges with twenty-four NbNb8Ni4 cuboctahedra, faces with six equivalent NiNb12 cuboctahedra, and faces with twelve NbNb8Ni4 cuboctahedra. All Nb–Nb bond lengths are 2.90 Å. All Nb–Ni bond lengths are 2.81 Å. In the second Nb site, Nb is bonded to eight Nb and four equivalent Ni atoms to form NbNb8Ni4 cuboctahedra that share corners with twelve equivalent NbNb8Ni4 cuboctahedra, edges with eight equivalent NiNb12 cuboctahedra, edges with sixteen NbNb8Ni4 cuboctahedra, faces with four equivalent NiNb12 cuboctahedra, and faces with fourteen NbNb8Ni4 cuboctahedra. All Nb–Nb bond lengths are 2.81 Å. All Nb–Ni bond lengths are 2.90 Å. Ni is bonded to twelve Nb atoms to form NiNb12 cuboctahedra that share corners with four equivalent NiNb12 cuboctahedra, corners with eight equivalent NbNb8Ni4 cuboctahedra, edges with eight equivalent NiNb12 cuboctahedra, edges with sixteen equivalent NbNb8Ni4 cuboctahedra, faces with four equivalent NiNb12 cuboctahedra, and facesmore » with fourteen NbNb8Ni4 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: Tue Jul 18 00:00:00 EDT 2017

Other Number(s):: mp-999394

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; Nb3Ni; Nb-Ni

OSTI Identifier:: 1317563

DOI:: https://doi.org/10.17188/1317563

Citation Formats


                    The Materials Project. Materials Data on Nb3Ni by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1317563.

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                    The Materials Project. Materials Data on Nb3Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1317563

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                    The Materials Project. 2017.  
"Materials Data on Nb3Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1317563.  https://www.osti.gov/servlets/purl/1317563. Pub date:Tue Jul 18 00:00:00 EDT 2017

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@article{osti_1317563,

  title        = {Materials Data on Nb3Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb3Ni is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to eight equivalent Nb and four equivalent Ni atoms to form distorted NbNb8Ni4 cuboctahedra that share corners with four equivalent NbNb8Ni4 cuboctahedra, corners with eight equivalent NiNb12 cuboctahedra, edges with twenty-four NbNb8Ni4 cuboctahedra, faces with six equivalent NiNb12 cuboctahedra, and faces with twelve NbNb8Ni4 cuboctahedra. All Nb–Nb bond lengths are 2.90 Å. All Nb–Ni bond lengths are 2.81 Å. In the second Nb site, Nb is bonded to eight Nb and four equivalent Ni atoms to form NbNb8Ni4 cuboctahedra that share corners with twelve equivalent NbNb8Ni4 cuboctahedra, edges with eight equivalent NiNb12 cuboctahedra, edges with sixteen NbNb8Ni4 cuboctahedra, faces with four equivalent NiNb12 cuboctahedra, and faces with fourteen NbNb8Ni4 cuboctahedra. All Nb–Nb bond lengths are 2.81 Å. All Nb–Ni bond lengths are 2.90 Å. Ni is bonded to twelve Nb atoms to form NiNb12 cuboctahedra that share corners with four equivalent NiNb12 cuboctahedra, corners with eight equivalent NbNb8Ni4 cuboctahedra, edges with eight equivalent NiNb12 cuboctahedra, edges with sixteen equivalent NbNb8Ni4 cuboctahedra, faces with four equivalent NiNb12 cuboctahedra, and faces with fourteen NbNb8Ni4 cuboctahedra.},

  doi          = {10.17188/1317563},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 18 00:00:00 EDT 2017},

  month        = {Tue Jul 18 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1317563

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