Materials Data on Gd6Zn23 by Materials Project

doi:10.17188/1749076

Title: Materials Data on Gd6Zn23 by Materials Project

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Abstract

Gd6Zn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Gd–Zn bond distances ranging from 3.13–3.27 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted q6 geometry to three equivalent Gd and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.84 Å. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Zn–Zn bond lengths are 2.75 Å. In the third Zn site, Zn is bonded to four equivalent Gd and eight Zn atoms to form a mixture of face and corner-sharing ZnGd4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.81 Å. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Gd and seven Zn atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1193017

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; Gd6Zn23; Gd-Zn

OSTI Identifier:: 1749076

DOI:: https://doi.org/10.17188/1749076

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                    The Materials Project. Materials Data on Gd6Zn23 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749076.

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                    The Materials Project. Materials Data on Gd6Zn23 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749076

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                    The Materials Project. 2020.  
"Materials Data on Gd6Zn23 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749076.  https://www.osti.gov/servlets/purl/1749076. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1749076,

  title        = {Materials Data on Gd6Zn23 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd6Zn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Gd–Zn bond distances ranging from 3.13–3.27 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted q6 geometry to three equivalent Gd and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.84 Å. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Zn–Zn bond lengths are 2.75 Å. In the third Zn site, Zn is bonded to four equivalent Gd and eight Zn atoms to form a mixture of face and corner-sharing ZnGd4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.81 Å. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Gd and seven Zn atoms.},

  doi          = {10.17188/1749076},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1749076

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