Materials Data on Zr2Cu by Materials Project

doi:10.17188/1710341

Title: Materials Data on Zr2Cu by Materials Project

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Abstract

Zr2Cu crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Cu atoms. There are a spread of Zr–Cu bond distances ranging from 2.78–3.12 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to three equivalent Cu atoms. There are two shorter (2.70 Å) and one longer (3.08 Å) Zr–Cu bond lengths. Cu is bonded in a 9-coordinate geometry to eight Zr and one Cu atom. The Cu–Cu bond length is 2.50 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1077372

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; Zr2Cu; Cu-Zr

OSTI Identifier:: 1710341

DOI:: https://doi.org/10.17188/1710341

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                    The Materials Project. Materials Data on Zr2Cu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1710341.

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                    The Materials Project. Materials Data on Zr2Cu by Materials Project.  United States.  doi:https://doi.org/10.17188/1710341

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                    The Materials Project. 2020.  
"Materials Data on Zr2Cu by Materials Project".  United States.  doi:https://doi.org/10.17188/1710341.  https://www.osti.gov/servlets/purl/1710341. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1710341,

  title        = {Materials Data on Zr2Cu by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr2Cu crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Cu atoms. There are a spread of Zr–Cu bond distances ranging from 2.78–3.12 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to three equivalent Cu atoms. There are two shorter (2.70 Å) and one longer (3.08 Å) Zr–Cu bond lengths. Cu is bonded in a 9-coordinate geometry to eight Zr and one Cu atom. The Cu–Cu bond length is 2.50 Å.},

  doi          = {10.17188/1710341},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1710341

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