Materials Data on Zr3Ga2 by Materials Project

doi:10.17188/1205053

Title: Materials Data on Zr3Ga2 by Materials Project

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Abstract

Ga2Zr3 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a square co-planar geometry to four equivalent Ga atoms. All Zr–Ga bond lengths are 2.93 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Ga atoms. There are two shorter (2.79 Å) and four longer (2.91 Å) Zr–Ga bond lengths. Ga is bonded in a 9-coordinate geometry to eight Zr and one Ga atom. The Ga–Ga bond length is 2.57 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-30684

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; Zr3Ga2; Ga-Zr

OSTI Identifier:: 1205053

DOI:: https://doi.org/10.17188/1205053

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                    The Materials Project. Materials Data on Zr3Ga2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205053.

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                    The Materials Project. Materials Data on Zr3Ga2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205053

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                    The Materials Project. 2020.  
"Materials Data on Zr3Ga2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205053.  https://www.osti.gov/servlets/purl/1205053. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205053,

  title        = {Materials Data on Zr3Ga2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ga2Zr3 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a square co-planar geometry to four equivalent Ga atoms. All Zr–Ga bond lengths are 2.93 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Ga atoms. There are two shorter (2.79 Å) and four longer (2.91 Å) Zr–Ga bond lengths. Ga is bonded in a 9-coordinate geometry to eight Zr and one Ga atom. The Ga–Ga bond length is 2.57 Å.},

  doi          = {10.17188/1205053},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1205053

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