Materials Data on ZrGaNi by Materials Project

doi:10.17188/1740670

Title: Materials Data on ZrGaNi by Materials Project

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Abstract

ZrNiGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Ni and six equivalent Ga atoms. There are four shorter (2.72 Å) and one longer (2.78 Å) Zr–Ni bond lengths. There are two shorter (2.90 Å) and four longer (3.00 Å) Zr–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Ga atoms. All Ni–Ga bond lengths are 2.49 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Ga atoms. All Ni–Ga bond lengths are 2.58 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1078832

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; ZrGaNi; Ga-Ni-Zr

OSTI Identifier:: 1740670

DOI:: https://doi.org/10.17188/1740670

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                    The Materials Project. Materials Data on ZrGaNi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740670.

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                    The Materials Project. Materials Data on ZrGaNi by Materials Project.  United States.  doi:https://doi.org/10.17188/1740670

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                    The Materials Project. 2020.  
"Materials Data on ZrGaNi by Materials Project".  United States.  doi:https://doi.org/10.17188/1740670.  https://www.osti.gov/servlets/purl/1740670. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1740670,

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

  author       = {The Materials Project},

  abstractNote = {ZrNiGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Ni and six equivalent Ga atoms. There are four shorter (2.72 Å) and one longer (2.78 Å) Zr–Ni bond lengths. There are two shorter (2.90 Å) and four longer (3.00 Å) Zr–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Ga atoms. All Ni–Ga bond lengths are 2.49 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Ga atoms. All Ni–Ga bond lengths are 2.58 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four Ni atoms.},

  doi          = {10.17188/1740670},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740670

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