Materials Data on ZrCu5 by Materials Project

doi:10.17188/1204990

Title: Materials Data on ZrCu5 by Materials Project

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Abstract

Cu5Zr crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to sixteen Cu atoms. There are twelve shorter (2.84 Å) and four longer (2.96 Å) Zr–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 4-coordinate geometry to four equivalent Zr and twelve equivalent Cu atoms. All Cu–Cu bond lengths are 2.83 Å. In the second Cu site, Cu is bonded to three equivalent Zr and nine Cu atoms to form a mixture of distorted face, edge, and corner-sharing CuZr3Cu9 cuboctahedra. There are three shorter (2.41 Å) and three longer (2.43 Å) Cu–Cu bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-30603

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; ZrCu5; Cu-Zr

OSTI Identifier:: 1204990

DOI:: https://doi.org/10.17188/1204990

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                    The Materials Project. Materials Data on ZrCu5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204990.

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                    The Materials Project. Materials Data on ZrCu5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204990

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                    The Materials Project. 2020.  
"Materials Data on ZrCu5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204990.  https://www.osti.gov/servlets/purl/1204990. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1204990,

  title        = {Materials Data on ZrCu5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu5Zr crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to sixteen Cu atoms. There are twelve shorter (2.84 Å) and four longer (2.96 Å) Zr–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 4-coordinate geometry to four equivalent Zr and twelve equivalent Cu atoms. All Cu–Cu bond lengths are 2.83 Å. In the second Cu site, Cu is bonded to three equivalent Zr and nine Cu atoms to form a mixture of distorted face, edge, and corner-sharing CuZr3Cu9 cuboctahedra. There are three shorter (2.41 Å) and three longer (2.43 Å) Cu–Cu bond lengths.},

  doi          = {10.17188/1204990},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204990

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