Materials Data on Mg2Zn11 by Materials Project

doi:10.17188/1205145

Title: Materials Data on Mg2Zn11 by Materials Project

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Abstract

Mg2Zn11 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Mg–Zn bond distances ranging from 2.93–3.13 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Zn atoms. All Zn–Zn bond lengths are 2.64 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.78 Å. In the third Zn site, Zn is bonded in a 7-coordinate geometry to two equivalent Mg and five Zn atoms. There are two shorter (2.54 Å) and one longer (2.73 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Mg and six Zn atoms. All Zn–Zn bond lengths are 2.63 Å. In the fifth Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Mg and nine Zn atoms. There are one shorter (2.71 Å) and four longer (2.79 Å) Zn–Zn bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-30784

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; Mg2Zn11; Mg-Zn

OSTI Identifier:: 1205145

DOI:: https://doi.org/10.17188/1205145

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                    The Materials Project. Materials Data on Mg2Zn11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205145.

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                    The Materials Project. Materials Data on Mg2Zn11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205145

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                    The Materials Project. 2020.  
"Materials Data on Mg2Zn11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205145.  https://www.osti.gov/servlets/purl/1205145. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1205145,

  title        = {Materials Data on Mg2Zn11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2Zn11 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Mg–Zn bond distances ranging from 2.93–3.13 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Zn atoms. All Zn–Zn bond lengths are 2.64 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.78 Å. In the third Zn site, Zn is bonded in a 7-coordinate geometry to two equivalent Mg and five Zn atoms. There are two shorter (2.54 Å) and one longer (2.73 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Mg and six Zn atoms. All Zn–Zn bond lengths are 2.63 Å. In the fifth Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Mg and nine Zn atoms. There are one shorter (2.71 Å) and four longer (2.79 Å) Zn–Zn bond lengths.},

  doi          = {10.17188/1205145},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1205145

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