Materials Data on Zr3Ga5 by Materials Project

doi:10.17188/1695970

Title: Materials Data on Zr3Ga5 by Materials Project

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Abstract

Ga5Zr3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Zr–Ga bond distances ranging from 2.84–3.07 Å. In the second Zr site, Zr is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Zr–Ga bond distances ranging from 2.72–3.12 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to six Zr and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.62–3.06 Å. In the second Ga site, Ga is bonded in a 5-coordinate geometry to five Zr and six Ga atoms. Both Ga–Ga bond lengths are 2.81 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Zr and four Ga atoms. The Ga–Ga bond length is 2.79 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1207393

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; Zr3Ga5; Ga-Zr

OSTI Identifier:: 1695970

DOI:: https://doi.org/10.17188/1695970

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                    The Materials Project. Materials Data on Zr3Ga5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1695970.

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                    The Materials Project. Materials Data on Zr3Ga5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1695970

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                    The Materials Project. 2020.  
"Materials Data on Zr3Ga5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1695970.  https://www.osti.gov/servlets/purl/1695970. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1695970,

  title        = {Materials Data on Zr3Ga5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ga5Zr3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Zr–Ga bond distances ranging from 2.84–3.07 Å. In the second Zr site, Zr is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Zr–Ga bond distances ranging from 2.72–3.12 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to six Zr and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.62–3.06 Å. In the second Ga site, Ga is bonded in a 5-coordinate geometry to five Zr and six Ga atoms. Both Ga–Ga bond lengths are 2.81 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Zr and four Ga atoms. The Ga–Ga bond length is 2.79 Å.},

  doi          = {10.17188/1695970},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1695970

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