Materials Data on Zr4CuP by Materials Project

doi:10.17188/1276882

Title: Materials Data on Zr4CuP by Materials Project

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Abstract

Zr4CuP is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mcc space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to two equivalent Cu and two equivalent P atoms. Both Zr–Cu bond lengths are 2.83 Å. Both Zr–P bond lengths are 2.77 Å. Cu is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.71 Å. P is bonded in a 10-coordinate geometry to eight equivalent Zr atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-581733

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; Zr4CuP; Cu-P-Zr

OSTI Identifier:: 1276882

DOI:: https://doi.org/10.17188/1276882

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                    The Materials Project. Materials Data on Zr4CuP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276882.

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                    The Materials Project. Materials Data on Zr4CuP by Materials Project.  United States.  doi:https://doi.org/10.17188/1276882

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                    The Materials Project. 2020.  
"Materials Data on Zr4CuP by Materials Project".  United States.  doi:https://doi.org/10.17188/1276882.  https://www.osti.gov/servlets/purl/1276882. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1276882,

  title        = {Materials Data on Zr4CuP by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr4CuP is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mcc space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to two equivalent Cu and two equivalent P atoms. Both Zr–Cu bond lengths are 2.83 Å. Both Zr–P bond lengths are 2.77 Å. Cu is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.71 Å. P is bonded in a 10-coordinate geometry to eight equivalent Zr atoms.},

  doi          = {10.17188/1276882},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1276882

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