Materials Data on Mg5Ag by Materials Project

doi:10.17188/1751343

Title: Materials Data on Mg5Ag by Materials Project

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Abstract

Mg5Ag crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted bent 150 degrees geometry to four equivalent Mg and two equivalent Ag atoms. There are two shorter (3.09 Å) and two longer (3.10 Å) Mg–Mg bond lengths. Both Mg–Ag bond lengths are 3.08 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Ag atoms to form distorted MgMg9Ag3 cuboctahedra that share corners with six equivalent AgMg12 cuboctahedra, corners with twelve equivalent MgMg9Ag3 cuboctahedra, edges with six equivalent MgMg9Ag3 cuboctahedra, faces with four equivalent MgMg9Ag3 cuboctahedra, and faces with four equivalent AgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.13 Å. All Mg–Ag bond lengths are 3.13 Å. Ag is bonded to twelve Mg atoms to form AgMg12 cuboctahedra that share corners with six equivalent AgMg12 cuboctahedra, corners with twelve equivalent MgMg9Ag3 cuboctahedra, edges with six equivalent AgMg12 cuboctahedra, and faces with eight equivalent MgMg9Ag3 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1185807

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; Mg5Ag; Ag-Mg

OSTI Identifier:: 1751343

DOI:: https://doi.org/10.17188/1751343

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                    The Materials Project. Materials Data on Mg5Ag by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751343.

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                    The Materials Project. Materials Data on Mg5Ag by Materials Project.  United States.  doi:https://doi.org/10.17188/1751343

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                    The Materials Project. 2020.  
"Materials Data on Mg5Ag by Materials Project".  United States.  doi:https://doi.org/10.17188/1751343.  https://www.osti.gov/servlets/purl/1751343. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1751343,

  title        = {Materials Data on Mg5Ag by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg5Ag crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted bent 150 degrees geometry to four equivalent Mg and two equivalent Ag atoms. There are two shorter (3.09 Å) and two longer (3.10 Å) Mg–Mg bond lengths. Both Mg–Ag bond lengths are 3.08 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Ag atoms to form distorted MgMg9Ag3 cuboctahedra that share corners with six equivalent AgMg12 cuboctahedra, corners with twelve equivalent MgMg9Ag3 cuboctahedra, edges with six equivalent MgMg9Ag3 cuboctahedra, faces with four equivalent MgMg9Ag3 cuboctahedra, and faces with four equivalent AgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.13 Å. All Mg–Ag bond lengths are 3.13 Å. Ag is bonded to twelve Mg atoms to form AgMg12 cuboctahedra that share corners with six equivalent AgMg12 cuboctahedra, corners with twelve equivalent MgMg9Ag3 cuboctahedra, edges with six equivalent AgMg12 cuboctahedra, and faces with eight equivalent MgMg9Ag3 cuboctahedra.},

  doi          = {10.17188/1751343},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751343

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