Materials Data on Mg5Zn by Materials Project

doi:10.17188/1676244

Title: Materials Data on Mg5Zn by Materials Project

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Abstract

Mg5Zn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with ten MgMg10Zn2 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.18 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Zn atoms to form a mixture of distorted corner, edge, and face-sharing MgMg8Zn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.15 Å. All Mg–Zn bond lengths are 3.08 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form a mixture of distorted corner, edge, and face-sharing MgMg10Zn2 cuboctahedra. There are four shorter (3.08 Å) and two longer (3.15 Å) Mg–Mg bond lengths. Both Mg–Zn bond lengths are 3.06 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with twelve MgMg10Zn2 cuboctahedra, edges with fifteen MgMg12 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. Theremore »« less

Publication Date:: 2020-05-03

Other Number(s):: mp-1094434

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; Mg-Zn; Mg5Zn; crystal structure

OSTI Identifier:: 1676244

DOI:: https://doi.org/10.17188/1676244

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                    Materials Data on Mg5Zn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676244.

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                    Materials Data on Mg5Zn by Materials Project.  United States.  doi:https://doi.org/10.17188/1676244

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                    2020.  
"Materials Data on Mg5Zn by Materials Project".  United States.  doi:https://doi.org/10.17188/1676244.  https://www.osti.gov/servlets/purl/1676244. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1676244,

  title        = {Materials Data on Mg5Zn by Materials Project},

  
  abstractNote = {Mg5Zn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with ten MgMg10Zn2 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.18 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Zn atoms to form a mixture of distorted corner, edge, and face-sharing MgMg8Zn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.15 Å. All Mg–Zn bond lengths are 3.08 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form a mixture of distorted corner, edge, and face-sharing MgMg10Zn2 cuboctahedra. There are four shorter (3.08 Å) and two longer (3.15 Å) Mg–Mg bond lengths. Both Mg–Zn bond lengths are 3.06 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with twelve MgMg10Zn2 cuboctahedra, edges with fifteen MgMg12 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are two shorter (3.15 Å) and two longer (3.29 Å) Mg–Mg bond lengths. Both Mg–Zn bond lengths are 3.05 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with twelve MgMg10Zn2 cuboctahedra, edges with fifteen MgMg8Zn4 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.15 Å. Both Mg–Zn bond lengths are 3.02 Å. Zn is bonded in a 12-coordinate geometry to ten Mg atoms.},

  doi          = {10.17188/1676244},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1676244

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