Materials Data on Mg2Zn by Materials Project

doi:10.17188/1663663

Title: Materials Data on Mg2Zn by Materials Project

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Abstract

Mg2Zn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, face, and corner-sharing MgMg12 cuboctahedra. There are six shorter (3.09 Å) and six longer (3.21 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to three equivalent Mg and three equivalent Zn atoms to form distorted MgMg3Zn3 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with twelve MgMg12 cuboctahedra, and faces with two MgMg3Zn3 cuboctahedra. All Mg–Zn bond lengths are 2.92 Å. In the third Mg site, Mg is bonded to six equivalent Zn atoms to form distorted MgZn6 cuboctahedra that share corners with twelve equivalent MgMg3Zn3 cuboctahedra, edges with six equivalent MgZn6 cuboctahedra, and faces with two equivalent MgMg3Zn3 cuboctahedra. All Mg–Zn bond lengths are 2.92 Å. Zn is bonded in a 12-coordinate geometry to six Mg atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1094438

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:: 1663663

DOI:: https://doi.org/10.17188/1663663

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                    The Materials Project. Materials Data on Mg2Zn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663663.

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                    The Materials Project. Materials Data on Mg2Zn by Materials Project.  United States.  doi:https://doi.org/10.17188/1663663

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                    The Materials Project. 2020.  
"Materials Data on Mg2Zn by Materials Project".  United States.  doi:https://doi.org/10.17188/1663663.  https://www.osti.gov/servlets/purl/1663663. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1663663,

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

  author       = {The Materials Project},

  abstractNote = {Mg2Zn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, face, and corner-sharing MgMg12 cuboctahedra. There are six shorter (3.09 Å) and six longer (3.21 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to three equivalent Mg and three equivalent Zn atoms to form distorted MgMg3Zn3 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with twelve MgMg12 cuboctahedra, and faces with two MgMg3Zn3 cuboctahedra. All Mg–Zn bond lengths are 2.92 Å. In the third Mg site, Mg is bonded to six equivalent Zn atoms to form distorted MgZn6 cuboctahedra that share corners with twelve equivalent MgMg3Zn3 cuboctahedra, edges with six equivalent MgZn6 cuboctahedra, and faces with two equivalent MgMg3Zn3 cuboctahedra. All Mg–Zn bond lengths are 2.92 Å. Zn is bonded in a 12-coordinate geometry to six Mg atoms.},

  doi          = {10.17188/1663663},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1663663

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