Materials Data on ErZnSn by Materials Project

doi:10.17188/1748829

Title: Materials Data on ErZnSn by Materials Project

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Abstract

ErZnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All Er–Zn bond lengths are 2.96 Å. All Er–Sn bond lengths are 3.35 Å. In the second Er site, Er is bonded to six equivalent Zn and six equivalent Sn atoms to form distorted face-sharing ErZn6Sn6 octahedra. All Er–Zn bond lengths are 3.57 Å. All Er–Sn bond lengths are 3.13 Å. Zn is bonded in a 10-coordinate geometry to six Er, one Zn, and three equivalent Sn atoms. The Zn–Zn bond length is 2.80 Å. All Zn–Sn bond lengths are 2.70 Å. Sn is bonded in a 9-coordinate geometry to six Er and three equivalent Zn atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1212948

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; ErZnSn; Er-Sn-Zn

OSTI Identifier:: 1748829

DOI:: https://doi.org/10.17188/1748829

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                    The Materials Project. Materials Data on ErZnSn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748829.

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                    The Materials Project. Materials Data on ErZnSn by Materials Project.  United States.  doi:https://doi.org/10.17188/1748829

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                    The Materials Project. 2020.  
"Materials Data on ErZnSn by Materials Project".  United States.  doi:https://doi.org/10.17188/1748829.  https://www.osti.gov/servlets/purl/1748829. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1748829,

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

  author       = {The Materials Project},

  abstractNote = {ErZnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All Er–Zn bond lengths are 2.96 Å. All Er–Sn bond lengths are 3.35 Å. In the second Er site, Er is bonded to six equivalent Zn and six equivalent Sn atoms to form distorted face-sharing ErZn6Sn6 octahedra. All Er–Zn bond lengths are 3.57 Å. All Er–Sn bond lengths are 3.13 Å. Zn is bonded in a 10-coordinate geometry to six Er, one Zn, and three equivalent Sn atoms. The Zn–Zn bond length is 2.80 Å. All Zn–Sn bond lengths are 2.70 Å. Sn is bonded in a 9-coordinate geometry to six Er and three equivalent Zn atoms.},

  doi          = {10.17188/1748829},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1748829

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