Materials Data on Mg2Zn by Materials Project

doi:10.17188/1677026

Title: Materials Data on Mg2Zn by Materials Project

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Abstract

Mg2Zn crystallizes in the hexagonal P-62m 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 eight equivalent ZnMg9Zn3 cuboctahedra, edges with ten MgMg8Zn4 cuboctahedra, faces with eight equivalent ZnMg9Zn3 cuboctahedra, and faces with twelve MgMg8Zn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.99–3.11 Å. All Mg–Zn bond lengths are 3.03 Å. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent Zn atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with eighteen equivalent ZnMg9Zn3 cuboctahedra, edges with eighteen MgMg8Zn4 cuboctahedra, faces with six equivalent ZnMg9Zn3 cuboctahedra, and faces with fourteen MgMg8Zn4 cuboctahedra. All Mg–Zn bond lengths are 3.03 Å. Zn is bonded to nine Mg and three equivalent Zn atoms to form distorted ZnMg9Zn3 cuboctahedra that share corners with nine equivalent MgMg6Zn6 cuboctahedra, corners with nine equivalent ZnMg9Zn3 cuboctahedra, edges with six equivalent ZnMg9Zn3 cuboctahedra, edges with twelve equivalent MgMg8Zn4 cuboctahedra, faces with five equivalent ZnMg9Zn3 cuboctahedra, and faces with fifteen MgMg8Zn4 cuboctahedra. All Zn–Zn bondmore » lengths are 3.03 Å.« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1094448

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:: 1677026

DOI:: https://doi.org/10.17188/1677026

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                    The Materials Project. Materials Data on Mg2Zn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677026.

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                    The Materials Project. Materials Data on Mg2Zn by Materials Project.  United States.  doi:https://doi.org/10.17188/1677026

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                    The Materials Project. 2020.  
"Materials Data on Mg2Zn by Materials Project".  United States.  doi:https://doi.org/10.17188/1677026.  https://www.osti.gov/servlets/purl/1677026. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1677026,

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

  author       = {The Materials Project},

  abstractNote = {Mg2Zn crystallizes in the hexagonal P-62m 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 eight equivalent ZnMg9Zn3 cuboctahedra, edges with ten MgMg8Zn4 cuboctahedra, faces with eight equivalent ZnMg9Zn3 cuboctahedra, and faces with twelve MgMg8Zn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.99–3.11 Å. All Mg–Zn bond lengths are 3.03 Å. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent Zn atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with eighteen equivalent ZnMg9Zn3 cuboctahedra, edges with eighteen MgMg8Zn4 cuboctahedra, faces with six equivalent ZnMg9Zn3 cuboctahedra, and faces with fourteen MgMg8Zn4 cuboctahedra. All Mg–Zn bond lengths are 3.03 Å. Zn is bonded to nine Mg and three equivalent Zn atoms to form distorted ZnMg9Zn3 cuboctahedra that share corners with nine equivalent MgMg6Zn6 cuboctahedra, corners with nine equivalent ZnMg9Zn3 cuboctahedra, edges with six equivalent ZnMg9Zn3 cuboctahedra, edges with twelve equivalent MgMg8Zn4 cuboctahedra, faces with five equivalent ZnMg9Zn3 cuboctahedra, and faces with fifteen MgMg8Zn4 cuboctahedra. All Zn–Zn bond lengths are 3.03 Å.},

  doi          = {10.17188/1677026},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1677026

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