Materials Data on MgZn by Materials Project

doi:10.17188/1315883

Title: Materials Data on MgZn by Materials Project

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Abstract

MgZn is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to eight equivalent Zn atoms. There are a spread of Mg–Zn bond distances ranging from 2.87–3.00 Å. Zn is bonded in a 8-coordinate geometry to eight equivalent Mg atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-978268

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; MgZn; Mg-Zn

OSTI Identifier:: 1315883

DOI:: https://doi.org/10.17188/1315883

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                    The Materials Project. Materials Data on MgZn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315883.

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                    The Materials Project. Materials Data on MgZn by Materials Project.  United States.  doi:https://doi.org/10.17188/1315883

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                    The Materials Project. 2020.  
"Materials Data on MgZn by Materials Project".  United States.  doi:https://doi.org/10.17188/1315883.  https://www.osti.gov/servlets/purl/1315883. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1315883,

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

  author       = {The Materials Project},

  abstractNote = {MgZn is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to eight equivalent Zn atoms. There are a spread of Mg–Zn bond distances ranging from 2.87–3.00 Å. Zn is bonded in a 8-coordinate geometry to eight equivalent Mg atoms.},

  doi          = {10.17188/1315883},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1315883

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Materials Data on MgZn by Materials Project

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MgZn crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MgZn sheet oriented in the (0, 0, 1) direction. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Zn atoms. There are three shorter (2.83 Å) and three longer (2.85 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to three equivalent Zn atoms to form distorted corner-sharing MgZn3 cuboctahedra. All Mg–Zn bond lengths are 2.85 Å. In the third Mg site, Mg is bonded to three equivalent Zn atomsmore »« less

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