Materials Data on LiAg3 by Materials Project

doi:10.17188/1309557

Title: Materials Data on LiAg3 by Materials Project

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Abstract

LiAg3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Ag atoms to form a mixture of face, edge, and corner-sharing LiAg12 cuboctahedra. There are four shorter (2.90 Å) and eight longer (2.91 Å) Li–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Li atoms to form a mixture of distorted edge and corner-sharing AgLi4 cuboctahedra. In the second Ag site, Ag is bonded in a distorted square co-planar geometry to four equivalent Li atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-862716

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; LiAg3; Ag-Li

OSTI Identifier:: 1309557

DOI:: https://doi.org/10.17188/1309557

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                    The Materials Project. Materials Data on LiAg3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1309557.

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                    The Materials Project. Materials Data on LiAg3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1309557

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                    The Materials Project. 2020.  
"Materials Data on LiAg3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1309557.  https://www.osti.gov/servlets/purl/1309557. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1309557,

  title        = {Materials Data on LiAg3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiAg3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Ag atoms to form a mixture of face, edge, and corner-sharing LiAg12 cuboctahedra. There are four shorter (2.90 Å) and eight longer (2.91 Å) Li–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Li atoms to form a mixture of distorted edge and corner-sharing AgLi4 cuboctahedra. In the second Ag site, Ag is bonded in a distorted square co-planar geometry to four equivalent Li atoms.},

  doi          = {10.17188/1309557},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1309557

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