Materials Data on Zn8Cu5 by Materials Project

doi:10.17188/1189714

Title: Materials Data on Zn8Cu5 by Materials Project

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Abstract

Cu5Zn8 is gamma-brass structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Cu and nine Zn atoms. All Cu–Cu bond lengths are 2.70 Å. There are a spread of Cu–Zn bond distances ranging from 2.55–2.61 Å. In the second Cu site, Cu is bonded in a 4-coordinate geometry to three Cu and ten Zn atoms. The Cu–Cu bond length is 2.54 Å. There are a spread of Cu–Zn bond distances ranging from 2.53–2.83 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 6-coordinate geometry to six Cu and six Zn atoms. There are three shorter (2.63 Å) and three longer (2.74 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 11-coordinate geometry to six Cu and five Zn atoms. All Zn–Zn bond lengths are 2.63 Å.

Authors:: The Materials Project

Publication Date:: Tue Jul 18 00:00:00 EDT 2017

Other Number(s):: mp-1368

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; Zn8Cu5; Cu-Zn

OSTI Identifier:: 1189714

DOI:: https://doi.org/10.17188/1189714

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                    The Materials Project. Materials Data on Zn8Cu5 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1189714.

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                    The Materials Project. Materials Data on Zn8Cu5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189714

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                    The Materials Project. 2017.  
"Materials Data on Zn8Cu5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189714.  https://www.osti.gov/servlets/purl/1189714. Pub date:Tue Jul 18 00:00:00 EDT 2017

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@article{osti_1189714,

  title        = {Materials Data on Zn8Cu5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu5Zn8 is gamma-brass structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Cu and nine Zn atoms. All Cu–Cu bond lengths are 2.70 Å. There are a spread of Cu–Zn bond distances ranging from 2.55–2.61 Å. In the second Cu site, Cu is bonded in a 4-coordinate geometry to three Cu and ten Zn atoms. The Cu–Cu bond length is 2.54 Å. There are a spread of Cu–Zn bond distances ranging from 2.53–2.83 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 6-coordinate geometry to six Cu and six Zn atoms. There are three shorter (2.63 Å) and three longer (2.74 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 11-coordinate geometry to six Cu and five Zn atoms. All Zn–Zn bond lengths are 2.63 Å.},

  doi          = {10.17188/1189714},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 18 00:00:00 EDT 2017},

  month        = {Tue Jul 18 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1189714

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