Materials Data on ErZn5 by Materials Project

doi:10.17188/1275341

Title: Materials Data on ErZn5 by Materials Project

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Abstract

ErZn5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to eighteen Zn atoms. There are six shorter (3.05 Å) and twelve longer (3.38 Å) Er–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Er and eight Zn atoms to form a mixture of corner, edge, and face-sharing ZnEr4Zn8 cuboctahedra. There are four shorter (2.61 Å) and four longer (2.64 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Er and six equivalent Zn atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-569927

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; ErZn5; Er-Zn

OSTI Identifier:: 1275341

DOI:: https://doi.org/10.17188/1275341

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                    The Materials Project. Materials Data on ErZn5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275341.

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                    The Materials Project. Materials Data on ErZn5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275341

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                    The Materials Project. 2020.  
"Materials Data on ErZn5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275341.  https://www.osti.gov/servlets/purl/1275341. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1275341,

  title        = {Materials Data on ErZn5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErZn5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to eighteen Zn atoms. There are six shorter (3.05 Å) and twelve longer (3.38 Å) Er–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Er and eight Zn atoms to form a mixture of corner, edge, and face-sharing ZnEr4Zn8 cuboctahedra. There are four shorter (2.61 Å) and four longer (2.64 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Er and six equivalent Zn atoms.},

  doi          = {10.17188/1275341},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275341

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