Materials Data on Mg2Zn by Materials Project

doi:10.17188/1718589

Title: Materials Data on Mg2Zn by Materials Project

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Abstract

Mg2Zn crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three Zn atoms to form distorted MgMg9Zn3 cuboctahedra that share corners with eighteen MgMg9Zn3 cuboctahedra, edges with eight MgMg7Zn5 cuboctahedra, and faces with thirteen MgMg9Zn3 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.97–3.13 Å. There are two shorter (2.92 Å) and one longer (3.02 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to seven Mg and five Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg7Zn5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.13 Å. There are a spread of Mg–Zn bond distances ranging from 2.90–3.03 Å. In the third Mg site, Mg is bonded to eight Mg and four Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg8Zn4 cuboctahedra. There are two shorter (3.06 Å) and two longer (3.13 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 2.82–3.09 Å. In the fourth Mg site, Mg is bonded to eight Mg and four Znmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1094455

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:: 1718589

DOI:: https://doi.org/10.17188/1718589

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                    The Materials Project. Materials Data on Mg2Zn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1718589.

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                    The Materials Project. Materials Data on Mg2Zn by Materials Project.  United States.  doi:https://doi.org/10.17188/1718589

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                    The Materials Project. 2020.  
"Materials Data on Mg2Zn by Materials Project".  United States.  doi:https://doi.org/10.17188/1718589.  https://www.osti.gov/servlets/purl/1718589. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1718589,

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

  author       = {The Materials Project},

  abstractNote = {Mg2Zn crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three Zn atoms to form distorted MgMg9Zn3 cuboctahedra that share corners with eighteen MgMg9Zn3 cuboctahedra, edges with eight MgMg7Zn5 cuboctahedra, and faces with thirteen MgMg9Zn3 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.97–3.13 Å. There are two shorter (2.92 Å) and one longer (3.02 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to seven Mg and five Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg7Zn5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.13 Å. There are a spread of Mg–Zn bond distances ranging from 2.90–3.03 Å. In the third Mg site, Mg is bonded to eight Mg and four Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg8Zn4 cuboctahedra. There are two shorter (3.06 Å) and two longer (3.13 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 2.82–3.09 Å. In the fourth Mg site, Mg is bonded to eight Mg and four Zn atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with six equivalent MgMg8Zn4 cuboctahedra, edges with twelve MgMg9Zn3 cuboctahedra, and faces with fourteen MgMg9Zn3 cuboctahedra. Both Mg–Mg bond lengths are 3.13 Å. There are two shorter (3.06 Å) and two longer (3.14 Å) Mg–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to eight Mg atoms. In the second Zn site, Zn is bonded in a 12-coordinate geometry to eight Mg atoms.},

  doi          = {10.17188/1718589},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1718589

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