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.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1094427

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; Mg3Zn; Mg-Zn

OSTI Identifier:: 1744616

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

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

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

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                    The Materials Project. 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:Sun May 03 00:00:00 EDT 2020

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@article{osti_1744616,

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

  author       = {The 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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