Materials Data on Mg2Zn by Materials Project

doi:10.17188/1734292

Title: Materials Data on Mg2Zn by Materials Project

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Abstract

Mg2Zn is beta-derived structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Zn atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with eighteen equivalent MgMg8Zn4 cuboctahedra, edges with six equivalent MgMg8Zn4 cuboctahedra, edges with eight equivalent ZnMg9Zn3 cuboctahedra, faces with eight equivalent MgMg8Zn4 cuboctahedra, and faces with eight equivalent ZnMg9Zn3 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.94–3.15 Å. There are two shorter (3.11 Å) and two longer (3.17 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded in a distorted hexagonal planar geometry to six equivalent Mg and six equivalent Zn atoms. All Mg–Zn bond lengths are 2.97 Å. Zn is bonded to nine Mg and three equivalent Zn atoms to form distorted ZnMg9Zn3 cuboctahedra that share corners with twelve equivalent ZnMg9Zn3 cuboctahedra, edges with six equivalent ZnMg9Zn3 cuboctahedra, edges with twelve equivalent MgMg8Zn4 cuboctahedra, faces with four equivalent ZnMg9Zn3 cuboctahedra, and faces with twelve equivalent MgMg8Zn4 cuboctahedra. All Zn–Zn bond lengths are 2.97 Å.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1094421

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; Mg2Zn; Mg-Zn

OSTI Identifier:: 1734292

DOI:: https://doi.org/10.17188/1734292

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                    The Materials Project. Materials Data on Mg2Zn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1734292.

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                    The Materials Project. Materials Data on Mg2Zn by Materials Project.  United States.  doi:https://doi.org/10.17188/1734292

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                    The Materials Project. 2020.  
"Materials Data on Mg2Zn by Materials Project".  United States.  doi:https://doi.org/10.17188/1734292.  https://www.osti.gov/servlets/purl/1734292. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1734292,

  title        = {Materials Data on Mg2Zn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2Zn is beta-derived structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Zn atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with eighteen equivalent MgMg8Zn4 cuboctahedra, edges with six equivalent MgMg8Zn4 cuboctahedra, edges with eight equivalent ZnMg9Zn3 cuboctahedra, faces with eight equivalent MgMg8Zn4 cuboctahedra, and faces with eight equivalent ZnMg9Zn3 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.94–3.15 Å. There are two shorter (3.11 Å) and two longer (3.17 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded in a distorted hexagonal planar geometry to six equivalent Mg and six equivalent Zn atoms. All Mg–Zn bond lengths are 2.97 Å. Zn is bonded to nine Mg and three equivalent Zn atoms to form distorted ZnMg9Zn3 cuboctahedra that share corners with twelve equivalent ZnMg9Zn3 cuboctahedra, edges with six equivalent ZnMg9Zn3 cuboctahedra, edges with twelve equivalent MgMg8Zn4 cuboctahedra, faces with four equivalent ZnMg9Zn3 cuboctahedra, and faces with twelve equivalent MgMg8Zn4 cuboctahedra. All Zn–Zn bond lengths are 2.97 Å.},

  doi          = {10.17188/1734292},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1734292

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