Materials Data on Zr2Ga3 by Materials Project

doi:10.17188/1205055

Title: Materials Data on Zr2Ga3 by Materials Project

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Abstract

Ga3Zr2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Zr is bonded in a 7-coordinate geometry to nine Ga atoms. There are a spread of Zr–Ga bond distances ranging from 2.82–3.19 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four equivalent Ga atoms. There are two shorter (2.63 Å) and two longer (2.72 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four Ga atoms. Both Ga–Ga bond lengths are 2.77 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-30686

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; Zr2Ga3; Ga-Zr

OSTI Identifier:: 1205055

DOI:: https://doi.org/10.17188/1205055

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                    The Materials Project. Materials Data on Zr2Ga3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205055.

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                    The Materials Project. Materials Data on Zr2Ga3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205055

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                    The Materials Project. 2020.  
"Materials Data on Zr2Ga3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205055.  https://www.osti.gov/servlets/purl/1205055. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205055,

  title        = {Materials Data on Zr2Ga3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ga3Zr2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Zr is bonded in a 7-coordinate geometry to nine Ga atoms. There are a spread of Zr–Ga bond distances ranging from 2.82–3.19 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four equivalent Ga atoms. There are two shorter (2.63 Å) and two longer (2.72 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four Ga atoms. Both Ga–Ga bond lengths are 2.77 Å.},

  doi          = {10.17188/1205055},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205055

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