Materials Data on K3Bi by Materials Project

doi:10.17188/1205560

Title: Materials Data on K3Bi by Materials Project

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Abstract

K3Bi crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a trigonal planar geometry to three equivalent Bi atoms. All K–Bi bond lengths are 3.61 Å. In the second K site, K is bonded in a trigonal planar geometry to three equivalent Bi atoms. All K–Bi bond lengths are 3.62 Å. In the third K site, K is bonded in a 3-coordinate geometry to three equivalent Bi atoms. There are one shorter (3.67 Å) and two longer (3.96 Å) K–Bi bond lengths. In the fourth K site, K is bonded in a 2-coordinate geometry to two equivalent Bi atoms. There are one shorter (3.68 Å) and one longer (3.88 Å) K–Bi bond lengths. Bi is bonded in a 8-coordinate geometry to eight K atoms.

Publication Date:: Sat May 02 04:00:00 UTC 2020

Other Number(s):: mp-31286

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:: 1205560

DOI:: https://doi.org/10.17188/1205560

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                    Materials Data on K3Bi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205560.

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                    Materials Data on K3Bi by Materials Project.  United States.  doi:https://doi.org/10.17188/1205560

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                    2020.  
"Materials Data on K3Bi by Materials Project".  United States.  doi:https://doi.org/10.17188/1205560.  https://www.osti.gov/servlets/purl/1205560. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1205560,

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

  
  abstractNote = {K3Bi crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a trigonal planar geometry to three equivalent Bi atoms. All K–Bi bond lengths are 3.61 Å. In the second K site, K is bonded in a trigonal planar geometry to three equivalent Bi atoms. All K–Bi bond lengths are 3.62 Å. In the third K site, K is bonded in a 3-coordinate geometry to three equivalent Bi atoms. There are one shorter (3.67 Å) and two longer (3.96 Å) K–Bi bond lengths. In the fourth K site, K is bonded in a 2-coordinate geometry to two equivalent Bi atoms. There are one shorter (3.68 Å) and one longer (3.88 Å) K–Bi bond lengths. Bi is bonded in a 8-coordinate geometry to eight K atoms.},

  doi          = {10.17188/1205560},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 04:00:00 UTC 2020},

  month        = {Sat May 02 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1205560

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