Materials Data on ZrZnNi4 by Materials Project

doi:10.17188/1188039

Title: Materials Data on ZrZnNi4 by Materials Project

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Abstract

ZrNi4Zn is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Zn atoms. All Zr–Ni bond lengths are 2.81 Å. All Zr–Zn bond lengths are 2.94 Å. Ni is bonded to three equivalent Zr, six equivalent Ni, and three equivalent Zn atoms to form a mixture of face, edge, and corner-sharing NiZr3Zn3Ni6 cuboctahedra. There are three shorter (2.38 Å) and three longer (2.41 Å) Ni–Ni bond lengths. All Ni–Zn bond lengths are 2.81 Å. Zn is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-11533

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; ZrZnNi4; Ni-Zn-Zr

OSTI Identifier:: 1188039

DOI:: https://doi.org/10.17188/1188039

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                    The Materials Project. Materials Data on ZrZnNi4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188039.

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                    The Materials Project. Materials Data on ZrZnNi4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188039

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                    The Materials Project. 2020.  
"Materials Data on ZrZnNi4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188039.  https://www.osti.gov/servlets/purl/1188039. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1188039,

  title        = {Materials Data on ZrZnNi4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZrNi4Zn is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Zn atoms. All Zr–Ni bond lengths are 2.81 Å. All Zr–Zn bond lengths are 2.94 Å. Ni is bonded to three equivalent Zr, six equivalent Ni, and three equivalent Zn atoms to form a mixture of face, edge, and corner-sharing NiZr3Zn3Ni6 cuboctahedra. There are three shorter (2.38 Å) and three longer (2.41 Å) Ni–Ni bond lengths. All Ni–Zn bond lengths are 2.81 Å. Zn is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Ni atoms.},

  doi          = {10.17188/1188039},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1188039

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