Materials Data on Zr6NiBi2 by Materials Project

doi:10.17188/1708062

Title: Materials Data on Zr6NiBi2 by Materials Project

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Abstract

Zr6NiBi2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Bi atoms. Both Zr–Ni bond lengths are 2.64 Å. Both Zr–Bi bond lengths are 3.10 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Ni and four equivalent Bi atoms. The Zr–Ni bond length is 3.13 Å. All Zr–Bi bond lengths are 3.07 Å. Ni is bonded in a 9-coordinate geometry to nine Zr atoms. Bi is bonded in a 9-coordinate geometry to nine Zr atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1205899

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; Zr6NiBi2; Bi-Ni-Zr

OSTI Identifier:: 1708062

DOI:: https://doi.org/10.17188/1708062

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                    The Materials Project. Materials Data on Zr6NiBi2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1708062.

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                    The Materials Project. Materials Data on Zr6NiBi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1708062

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                    The Materials Project. 2019.  
"Materials Data on Zr6NiBi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1708062.  https://www.osti.gov/servlets/purl/1708062. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1708062,

  title        = {Materials Data on Zr6NiBi2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr6NiBi2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Bi atoms. Both Zr–Ni bond lengths are 2.64 Å. Both Zr–Bi bond lengths are 3.10 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Ni and four equivalent Bi atoms. The Zr–Ni bond length is 3.13 Å. All Zr–Bi bond lengths are 3.07 Å. Ni is bonded in a 9-coordinate geometry to nine Zr atoms. Bi is bonded in a 9-coordinate geometry to nine Zr atoms.},

  doi          = {10.17188/1708062},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1708062

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