Materials Data on MgAg2 by Materials Project

doi:10.17188/1651740

Title: Materials Data on MgAg2 by Materials Project

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Abstract

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.

Publication Date:: 2020-05-02

Other Number(s):: mp-1185822

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; Ag-Mg; MgAg2; crystal structure

OSTI Identifier:: 1651740

DOI:: https://doi.org/10.17188/1651740

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                    Materials Data on MgAg2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651740.

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                    Materials Data on MgAg2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651740

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                    2020.  
"Materials Data on MgAg2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651740.  https://www.osti.gov/servlets/purl/1651740. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1651740,

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

  
  abstractNote = {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.},

  doi          = {10.17188/1651740},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1651740

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Materials Data on MgAg2 by Materials Project

Dataset

AgAgMg crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Ag atoms. There are a spread of Mg–Ag bond distances ranging from 2.91–2.96 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to four equivalent Mg atoms. In the second Ag site, Ag is bonded in a 12-coordinate geometry to six equivalent Mg atoms.
Materials Data on MgAg2 by Materials Project

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AgAgMg crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 9-coordinate geometry to nine Ag atoms. There are a spread of Mg–Ag bond distances ranging from 2.87–3.01 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to four equivalent Mg atoms. In the second Ag site, Ag is bonded in a 12-coordinate geometry to five equivalent Mg atoms.
Materials Data on MgAg2 by Materials Project

Dataset

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.
Materials Data on MgAg2 by Materials Project

Dataset

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 amore »« less
Materials Data on MgAg2(PS3)2 by Materials Project

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MgAg2(PS3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg2+ is bonded to six S2- atoms to form distorted MgS6 octahedra that share corners with eight equivalent AgS4 trigonal pyramids. There are four shorter (2.60 Å) and two longer (2.68 Å) Mg–S bond lengths. Ag1+ is bonded to four S2- atoms to form AgS4 trigonal pyramids that share corners with four equivalent MgS6 octahedra and an edgeedge with one AgS4 trigonal pyramid. The corner-sharing octahedra tilt angles range from 47–70°. There are a spread of Ag–S bond distances ranging from 2.51–3.00 Å. P4+ is bonded in amore »« less

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