Materials Data on Zr4NbGa3 by Materials Project

doi:10.17188/1651998

Title: Materials Data on Zr4NbGa3 by Materials Project

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Abstract

Zr4NbGa3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to two equivalent Nb and six Ga atoms. Both Zr–Nb bond lengths are 3.43 Å. There are a spread of Zr–Ga bond distances ranging from 2.87–3.09 Å. Nb is bonded in a 6-coordinate geometry to eight equivalent Zr, two equivalent Nb, and four equivalent Ga atoms. Both Nb–Nb bond lengths are 2.67 Å. All Nb–Ga bond lengths are 2.77 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Nb atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.67 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-1105702

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; Zr4NbGa3; Ga-Nb-Zr

OSTI Identifier:: 1651998

DOI:: https://doi.org/10.17188/1651998

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                    The Materials Project. Materials Data on Zr4NbGa3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651998.

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                    The Materials Project. Materials Data on Zr4NbGa3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651998

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                    The Materials Project. 2020.  
"Materials Data on Zr4NbGa3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651998.  https://www.osti.gov/servlets/purl/1651998. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1651998,

  title        = {Materials Data on Zr4NbGa3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr4NbGa3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to two equivalent Nb and six Ga atoms. Both Zr–Nb bond lengths are 3.43 Å. There are a spread of Zr–Ga bond distances ranging from 2.87–3.09 Å. Nb is bonded in a 6-coordinate geometry to eight equivalent Zr, two equivalent Nb, and four equivalent Ga atoms. Both Nb–Nb bond lengths are 2.67 Å. All Nb–Ga bond lengths are 2.77 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Nb atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.67 Å.},

  doi          = {10.17188/1651998},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1651998

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