Materials Data on BaAg5 by Materials Project

doi:10.17188/1192927

Title: Materials Data on BaAg5 by Materials Project

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Abstract

BaAg5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba is bonded in a 6-coordinate geometry to eighteen Ag atoms. There are six shorter (3.46 Å) and twelve longer (3.77 Å) Ba–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to three equivalent Ba and six equivalent Ag atoms. All Ag–Ag bond lengths are 2.87 Å. In the second Ag site, Ag is bonded to four equivalent Ba and eight Ag atoms to form a mixture of edge, face, and corner-sharing AgBa4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.99 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1814

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; BaAg5; Ag-Ba

OSTI Identifier:: 1192927

DOI:: https://doi.org/10.17188/1192927

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                    The Materials Project. Materials Data on BaAg5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192927.

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                    The Materials Project. Materials Data on BaAg5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192927

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                    The Materials Project. 2020.  
"Materials Data on BaAg5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192927.  https://www.osti.gov/servlets/purl/1192927. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1192927,

  title        = {Materials Data on BaAg5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaAg5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba is bonded in a 6-coordinate geometry to eighteen Ag atoms. There are six shorter (3.46 Å) and twelve longer (3.77 Å) Ba–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to three equivalent Ba and six equivalent Ag atoms. All Ag–Ag bond lengths are 2.87 Å. In the second Ag site, Ag is bonded to four equivalent Ba and eight Ag atoms to form a mixture of edge, face, and corner-sharing AgBa4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.99 Å.},

  doi          = {10.17188/1192927},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192927

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