Materials Data on ZrCu3 by Materials Project

doi:10.17188/1681550

Title: Materials Data on ZrCu3 by Materials Project

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Abstract

ZrCu3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Cu atoms to form a mixture of face and corner-sharing ZrCu12 cuboctahedra. There are six shorter (2.77 Å) and six longer (2.83 Å) Zr–Cu bond lengths. Cu is bonded in a 12-coordinate geometry to four equivalent Zr and eight equivalent Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.57–3.09 Å.

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1188040

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; ZrCu3; Cu-Zr

OSTI Identifier:: 1681550

DOI:: https://doi.org/10.17188/1681550

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                    The Materials Project. Materials Data on ZrCu3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681550.

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                    The Materials Project. Materials Data on ZrCu3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1681550

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                    The Materials Project. 2020.  
"Materials Data on ZrCu3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1681550.  https://www.osti.gov/servlets/purl/1681550. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1681550,

  title        = {Materials Data on ZrCu3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZrCu3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Cu atoms to form a mixture of face and corner-sharing ZrCu12 cuboctahedra. There are six shorter (2.77 Å) and six longer (2.83 Å) Zr–Cu bond lengths. Cu is bonded in a 12-coordinate geometry to four equivalent Zr and eight equivalent Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.57–3.09 Å.},

  doi          = {10.17188/1681550},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1681550

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