Materials Data on ZrNiSn by Materials Project

doi:10.17188/1205168

Title: Materials Data on ZrNiSn by Materials Project

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Abstract

ZrNiSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded to six equivalent Ni and four equivalent Sn atoms to form a mixture of distorted corner and face-sharing ZrNi6Sn4 tetrahedra. All Zr–Ni bond lengths are 3.18 Å. All Zr–Sn bond lengths are 2.75 Å. Ni is bonded in a distorted q6 geometry to six equivalent Zr and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.75 Å. Sn is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Ni atoms.

Publication Date:: 2017-05-10

Other Number(s):: mp-30806

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ni-Sn-Zr; ZrNiSn; crystal structure

OSTI Identifier:: 1205168

DOI:: https://doi.org/10.17188/1205168

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                    Materials Data on ZrNiSn by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1205168.

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                    Materials Data on ZrNiSn by Materials Project.  United States.  doi:https://doi.org/10.17188/1205168

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                    2017.  
"Materials Data on ZrNiSn by Materials Project".  United States.  doi:https://doi.org/10.17188/1205168.  https://www.osti.gov/servlets/purl/1205168. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1205168,

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

  
  abstractNote = {ZrNiSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded to six equivalent Ni and four equivalent Sn atoms to form a mixture of distorted corner and face-sharing ZrNi6Sn4 tetrahedra. All Zr–Ni bond lengths are 3.18 Å. All Zr–Sn bond lengths are 2.75 Å. Ni is bonded in a distorted q6 geometry to six equivalent Zr and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.75 Å. Sn is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Ni atoms.},

  doi          = {10.17188/1205168},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1205168

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Materials Data on ZrNiSn by Materials Project

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ZrNiSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Sn atoms. All Zr–Ni bond lengths are 2.67 Å. All Zr–Sn bond lengths are 3.08 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.67 Å. Sn is bonded in a distorted q6 geometry to six equivalent Zr and four equivalent Ni atoms.
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