Materials Data on KAg2 by Materials Project

doi:10.17188/1189152

Title: Materials Data on KAg2 by Materials Project

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Abstract

KAg2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to twelve Ag atoms. There are a spread of K–Ag bond distances ranging from 3.47–3.58 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to six equivalent K and six equivalent Ag atoms to form a mixture of edge, face, and corner-sharing AgK6Ag6 cuboctahedra. All Ag–Ag bond lengths are 3.03 Å. In the second Ag site, Ag is bonded to six equivalent K and six Ag atoms to form a mixture of edge, face, and corner-sharing AgK6Ag6 cuboctahedra. There are two shorter (2.93 Å) and two longer (2.98 Å) Ag–Ag bond lengths.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-12735

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; KAg2; Ag-K

OSTI Identifier:: 1189152

DOI:: https://doi.org/10.17188/1189152

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                    The Materials Project. Materials Data on KAg2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189152.

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                    The Materials Project. Materials Data on KAg2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189152

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                    The Materials Project. 2020.  
"Materials Data on KAg2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189152.  https://www.osti.gov/servlets/purl/1189152. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1189152,

  title        = {Materials Data on KAg2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KAg2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to twelve Ag atoms. There are a spread of K–Ag bond distances ranging from 3.47–3.58 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to six equivalent K and six equivalent Ag atoms to form a mixture of edge, face, and corner-sharing AgK6Ag6 cuboctahedra. All Ag–Ag bond lengths are 3.03 Å. In the second Ag site, Ag is bonded to six equivalent K and six Ag atoms to form a mixture of edge, face, and corner-sharing AgK6Ag6 cuboctahedra. There are two shorter (2.93 Å) and two longer (2.98 Å) Ag–Ag bond lengths.},

  doi          = {10.17188/1189152},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189152

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