Materials Data on BaAgBi by Materials Project

doi:10.17188/1719687

Title: Materials Data on BaAgBi by Materials Project

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Abstract

BaAgBi is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to six equivalent Ag and six equivalent Bi atoms to form a mixture of edge and face-sharing BaAg6Bi6 cuboctahedra. All Ba–Ag bond lengths are 3.75 Å. All Ba–Bi bond lengths are 3.75 Å. Ag is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Bi atoms. All Ag–Bi bond lengths are 2.91 Å. Bi is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Ag atoms.

Publication Date:: 2020-05-03

Other Number(s):: mp-1205318

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-Ba-Bi; BaAgBi; crystal structure

OSTI Identifier:: 1719687

DOI:: https://doi.org/10.17188/1719687

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                    Materials Data on BaAgBi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1719687.

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                    Materials Data on BaAgBi by Materials Project.  United States.  doi:https://doi.org/10.17188/1719687

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                    2020.  
"Materials Data on BaAgBi by Materials Project".  United States.  doi:https://doi.org/10.17188/1719687.  https://www.osti.gov/servlets/purl/1719687. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1719687,

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

  
  abstractNote = {BaAgBi is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to six equivalent Ag and six equivalent Bi atoms to form a mixture of edge and face-sharing BaAg6Bi6 cuboctahedra. All Ba–Ag bond lengths are 3.75 Å. All Ba–Bi bond lengths are 3.75 Å. Ag is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Bi atoms. All Ag–Bi bond lengths are 2.91 Å. Bi is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Ag atoms.},

  doi          = {10.17188/1719687},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1719687

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