Materials Data on ZrGaRh by Materials Project

doi:10.17188/1696146

Title: Materials Data on ZrGaRh by Materials Project

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Abstract

ZrRhGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Rh and six equivalent Ga atoms. There are four shorter (2.81 Å) and one longer (2.88 Å) Zr–Rh bond lengths. There are two shorter (2.96 Å) and four longer (3.05 Å) Zr–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Ga atoms. All Rh–Ga bond lengths are 2.61 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Ga atoms. All Rh–Ga bond lengths are 2.69 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four Rh atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1078756

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; ZrGaRh; Ga-Rh-Zr

OSTI Identifier:: 1696146

DOI:: https://doi.org/10.17188/1696146

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                    The Materials Project. Materials Data on ZrGaRh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1696146.

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                    The Materials Project. Materials Data on ZrGaRh by Materials Project.  United States.  doi:https://doi.org/10.17188/1696146

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                    The Materials Project. 2020.  
"Materials Data on ZrGaRh by Materials Project".  United States.  doi:https://doi.org/10.17188/1696146.  https://www.osti.gov/servlets/purl/1696146. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1696146,

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

  author       = {The Materials Project},

  abstractNote = {ZrRhGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Rh and six equivalent Ga atoms. There are four shorter (2.81 Å) and one longer (2.88 Å) Zr–Rh bond lengths. There are two shorter (2.96 Å) and four longer (3.05 Å) Zr–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Ga atoms. All Rh–Ga bond lengths are 2.61 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Ga atoms. All Rh–Ga bond lengths are 2.69 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four Rh atoms.},

  doi          = {10.17188/1696146},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1696146

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