Materials Data on MgAg2 by Materials Project

doi:10.17188/1744940

Title: Materials Data on MgAg2 by Materials Project

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Abstract

AgAgMg is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Ag atoms. There are a spread of Mg–Ag bond distances ranging from 3.17–3.28 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to six equivalent Mg and six equivalent Ag atoms to form a mixture of corner, edge, and face-sharing AgMg6Ag6 cuboctahedra. All Ag–Ag bond lengths are 2.77 Å. In the second Ag site, Ag is bonded to six equivalent Mg and six Ag atoms to form a mixture of corner, edge, and face-sharing AgMg6Ag6 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.88 Å) Ag–Ag bond lengths.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1094121

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; MgAg2; Ag-Mg

OSTI Identifier:: 1744940

DOI:: https://doi.org/10.17188/1744940

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                    The Materials Project. Materials Data on MgAg2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744940.

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                    The Materials Project. Materials Data on MgAg2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744940

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                    The Materials Project. 2020.  
"Materials Data on MgAg2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744940.  https://www.osti.gov/servlets/purl/1744940. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1744940,

  title        = {Materials Data on MgAg2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgAgMg is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Ag atoms. There are a spread of Mg–Ag bond distances ranging from 3.17–3.28 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to six equivalent Mg and six equivalent Ag atoms to form a mixture of corner, edge, and face-sharing AgMg6Ag6 cuboctahedra. All Ag–Ag bond lengths are 2.77 Å. In the second Ag site, Ag is bonded to six equivalent Mg and six Ag atoms to form a mixture of corner, edge, and face-sharing AgMg6Ag6 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.88 Å) Ag–Ag bond lengths.},

  doi          = {10.17188/1744940},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1744940

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Materials Data on MgAg2 by Materials Project

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AgAgMg crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten equivalent Ag atoms. There are a spread of Mg–Ag bond distances ranging from 2.85–3.00 Å. Ag is bonded in a 12-coordinate geometry to five equivalent Mg atoms.
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AgAgMg crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten equivalent Ag atoms. There are a spread of Mg–Ag bond distances ranging from 2.87–3.00 Å. Ag is bonded in a 12-coordinate geometry to five equivalent Mg atoms.

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