Materials Data on Ni3Sb by Materials Project

doi:10.17188/1281866

Title: Materials Data on Ni3Sb by Materials Project

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Abstract

Ni3Sb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing NiSb4 trigonal pyramids. There are three shorter (2.60 Å) and one longer (2.66 Å) Ni–Sb bond lengths. In the second Ni1+ site, Ni1+ is bonded in a see-saw-like geometry to four equivalent Sb3- atoms. There are two shorter (2.66 Å) and two longer (2.68 Å) Ni–Sb bond lengths. Sb3- is bonded to twelve Ni1+ atoms to form a mixture of edge, face, and corner-sharing SbNi12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-672371

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; Ni3Sb; Ni-Sb

OSTI Identifier:: 1281866

DOI:: https://doi.org/10.17188/1281866

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                    The Materials Project. Materials Data on Ni3Sb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281866.

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                    The Materials Project. Materials Data on Ni3Sb by Materials Project.  United States.  doi:https://doi.org/10.17188/1281866

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                    The Materials Project. 2020.  
"Materials Data on Ni3Sb by Materials Project".  United States.  doi:https://doi.org/10.17188/1281866.  https://www.osti.gov/servlets/purl/1281866. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1281866,

  title        = {Materials Data on Ni3Sb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni3Sb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing NiSb4 trigonal pyramids. There are three shorter (2.60 Å) and one longer (2.66 Å) Ni–Sb bond lengths. In the second Ni1+ site, Ni1+ is bonded in a see-saw-like geometry to four equivalent Sb3- atoms. There are two shorter (2.66 Å) and two longer (2.68 Å) Ni–Sb bond lengths. Sb3- is bonded to twelve Ni1+ atoms to form a mixture of edge, face, and corner-sharing SbNi12 cuboctahedra.},

  doi          = {10.17188/1281866},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1281866

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