Materials Data on Bi3Sb by Materials Project

doi:10.17188/1742021

Title: Materials Data on Bi3Sb by Materials Project

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Abstract

BiBi2Sb is Molybdenite-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three bismuth molecules and three Bi2Sb sheets oriented in the (0, 0, 1) direction. In each Bi2Sb sheet, there are two inequivalent Bi1+ sites. In the first Bi1+ site, Bi1+ is bonded in a distorted T-shaped geometry to three equivalent Sb3- atoms. All Bi–Sb bond lengths are 3.04 Å. In the second Bi1+ site, Bi1+ is bonded in a 3-coordinate geometry to three equivalent Sb3- atoms. All Bi–Sb bond lengths are 3.52 Å. Sb3- is bonded to six Bi1+ atoms to form distorted edge-sharing SbBi6 octahedra.

Publication Date:: 2020-05-03

Other Number(s):: mp-1227319

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-Sb; Bi3Sb; crystal structure

OSTI Identifier:: 1742021

DOI:: https://doi.org/10.17188/1742021

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                    Materials Data on Bi3Sb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1742021.

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                    Materials Data on Bi3Sb by Materials Project.  United States.  doi:https://doi.org/10.17188/1742021

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                    2020.  
"Materials Data on Bi3Sb by Materials Project".  United States.  doi:https://doi.org/10.17188/1742021.  https://www.osti.gov/servlets/purl/1742021. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1742021,

  title        = {Materials Data on Bi3Sb by Materials Project},

  
  abstractNote = {BiBi2Sb is Molybdenite-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three bismuth molecules and three Bi2Sb sheets oriented in the (0, 0, 1) direction. In each Bi2Sb sheet, there are two inequivalent Bi1+ sites. In the first Bi1+ site, Bi1+ is bonded in a distorted T-shaped geometry to three equivalent Sb3- atoms. All Bi–Sb bond lengths are 3.04 Å. In the second Bi1+ site, Bi1+ is bonded in a 3-coordinate geometry to three equivalent Sb3- atoms. All Bi–Sb bond lengths are 3.52 Å. Sb3- is bonded to six Bi1+ atoms to form distorted edge-sharing SbBi6 octahedra.},

  doi          = {10.17188/1742021},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1742021

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