Materials Data on ZrRe2 by Materials Project

doi:10.17188/1188586

Title: Materials Data on ZrRe2 by Materials Project

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Abstract

ZrRe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve Re atoms. There are a spread of Zr–Re bond distances ranging from 3.09–3.12 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Zr and six equivalent Re atoms to form a mixture of edge, corner, and face-sharing ReZr6Re6 cuboctahedra. All Re–Re bond lengths are 2.68 Å. In the second Re site, Re is bonded to six equivalent Zr and six Re atoms to form a mixture of edge, corner, and face-sharing ReZr6Re6 cuboctahedra. There are two shorter (2.58 Å) and two longer (2.73 Å) Re–Re bond lengths.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-12109

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; ZrRe2; Re-Zr

OSTI Identifier:: 1188586

DOI:: https://doi.org/10.17188/1188586

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                    The Materials Project. Materials Data on ZrRe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188586.

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                    The Materials Project. Materials Data on ZrRe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188586

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                    The Materials Project. 2020.  
"Materials Data on ZrRe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188586.  https://www.osti.gov/servlets/purl/1188586. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1188586,

  title        = {Materials Data on ZrRe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZrRe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve Re atoms. There are a spread of Zr–Re bond distances ranging from 3.09–3.12 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Zr and six equivalent Re atoms to form a mixture of edge, corner, and face-sharing ReZr6Re6 cuboctahedra. All Re–Re bond lengths are 2.68 Å. In the second Re site, Re is bonded to six equivalent Zr and six Re atoms to form a mixture of edge, corner, and face-sharing ReZr6Re6 cuboctahedra. There are two shorter (2.58 Å) and two longer (2.73 Å) Re–Re bond lengths.},

  doi          = {10.17188/1188586},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1188586

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