Materials Data on Mg3Zn by Materials Project

doi:10.17188/1744616

Title: Materials Data on Mg3Zn by Materials Project

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Abstract

Mg3Zn1 crystallizes in the orthorhombic Imm2 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 a mixture of distorted edge, corner, and face-sharing MgMg8Zn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.13 Å. There are two shorter (2.98 Å) and two longer (3.11 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to nine Mg and three equivalent Zn atoms to form distorted MgMg9Zn3 cuboctahedra that share corners with eighteen equivalent MgMg9Zn3 cuboctahedra, edges with twelve MgMg8Zn4 cuboctahedra, and faces with fourteen MgMg8Zn4 cuboctahedra. There are four shorter (3.05 Å) and two longer (3.13 Å) Mg–Mg bond lengths. There are two shorter (3.01 Å) and one longer (3.12 Å) Mg–Zn bond lengths. Zn is bonded in a 12-coordinate geometry to ten Mg atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1094427

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; crystal structure; Mg-Zn; Mg3Zn

OSTI Identifier:: 1744616

DOI:: https://doi.org/10.17188/1744616

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                    Materials Data on Mg3Zn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744616.

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                    Materials Data on Mg3Zn by Materials Project.  United States.  doi:https://doi.org/10.17188/1744616

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                    2020.  
"Materials Data on Mg3Zn by Materials Project".  United States.  doi:https://doi.org/10.17188/1744616.  https://www.osti.gov/servlets/purl/1744616. Pub date:Sat May 02 20:00:00 EDT 2020

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@article{osti_1744616,

  title        = {Materials Data on Mg3Zn by Materials Project},

  
  abstractNote = {Mg3Zn1 crystallizes in the orthorhombic Imm2 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 a mixture of distorted edge, corner, and face-sharing MgMg8Zn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.13 Å. There are two shorter (2.98 Å) and two longer (3.11 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to nine Mg and three equivalent Zn atoms to form distorted MgMg9Zn3 cuboctahedra that share corners with eighteen equivalent MgMg9Zn3 cuboctahedra, edges with twelve MgMg8Zn4 cuboctahedra, and faces with fourteen MgMg8Zn4 cuboctahedra. There are four shorter (3.05 Å) and two longer (3.13 Å) Mg–Mg bond lengths. There are two shorter (3.01 Å) and one longer (3.12 Å) Mg–Zn bond lengths. Zn is bonded in a 12-coordinate geometry to ten Mg atoms.},

  doi          = {10.17188/1744616},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744616

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