Materials Data on ZrInNi4 by Materials Project

doi:10.17188/1279716

Title: Materials Data on ZrInNi4 by Materials Project

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Abstract

ZrNi4In 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 In atoms. All Zr–Ni bond lengths are 2.85 Å. All Zr–In bond lengths are 2.97 Å. Ni is bonded to three equivalent Zr, six equivalent Ni, and three equivalent In atoms to form a mixture of corner, edge, and face-sharing NiZr3In3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.43 Å. All Ni–In bond lengths are 2.85 Å. In is bonded in a 4-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-637771

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; ZrInNi4; In-Ni-Zr

OSTI Identifier:: 1279716

DOI:: https://doi.org/10.17188/1279716

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                    The Materials Project. Materials Data on ZrInNi4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279716.

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                    The Materials Project. Materials Data on ZrInNi4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279716

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                    The Materials Project. 2020.  
"Materials Data on ZrInNi4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279716.  https://www.osti.gov/servlets/purl/1279716. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1279716,

  title        = {Materials Data on ZrInNi4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZrNi4In 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 In atoms. All Zr–Ni bond lengths are 2.85 Å. All Zr–In bond lengths are 2.97 Å. Ni is bonded to three equivalent Zr, six equivalent Ni, and three equivalent In atoms to form a mixture of corner, edge, and face-sharing NiZr3In3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.43 Å. All Ni–In bond lengths are 2.85 Å. In is bonded in a 4-coordinate geometry to four equivalent Zr and twelve equivalent Ni atoms.},

  doi          = {10.17188/1279716},

  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/10.17188/1279716

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