Materials Data on K3Bi by Materials Project

doi:10.17188/1274472

Title: Materials Data on K3Bi by Materials Project

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Abstract

K3Bi is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Bi atoms to form a mixture of distorted edge, face, and corner-sharing KK4Bi4 tetrahedra. All K–K bond lengths are 3.78 Å. All K–Bi bond lengths are 3.78 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Bi is bonded in a body-centered cubic geometry to eight equivalent K atoms.

Publication Date:: Thu Jul 16 04:00:00 UTC 2020

Other Number(s):: mp-568516

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; Bi-K; K3Bi; crystal structure

OSTI Identifier:: 1274472

DOI:: https://doi.org/10.17188/1274472

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                    Materials Data on K3Bi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274472.

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                    Materials Data on K3Bi by Materials Project.  United States.  doi:https://doi.org/10.17188/1274472

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                    2020.  
"Materials Data on K3Bi by Materials Project".  United States.  doi:https://doi.org/10.17188/1274472.  https://www.osti.gov/servlets/purl/1274472. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1274472,

  title        = {Materials Data on K3Bi by Materials Project},

  
  abstractNote = {K3Bi is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Bi atoms to form a mixture of distorted edge, face, and corner-sharing KK4Bi4 tetrahedra. All K–K bond lengths are 3.78 Å. All K–Bi bond lengths are 3.78 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Bi is bonded in a body-centered cubic geometry to eight equivalent K atoms.},

  doi          = {10.17188/1274472},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 04:00:00 UTC 2020},

  month        = {Thu Jul 16 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1274472

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