Materials Data on Bi2Se by Materials Project

doi:10.17188/1751256

Title: Materials Data on Bi2Se by Materials Project

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Abstract

Bi2Se crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Bi2Se ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Bi1+ sites. In the first Bi1+ site, Bi1+ is bonded in an L-shaped geometry to two equivalent Se2- atoms. There are one shorter (3.08 Å) and one longer (3.26 Å) Bi–Se bond lengths. In the second Bi1+ site, Bi1+ is bonded in a distorted T-shaped geometry to three equivalent Se2- atoms. There are a spread of Bi–Se bond distances ranging from 2.79–3.23 Å. Se2- is bonded to five Bi1+ atoms to form distorted edge-sharing SeBi5 square pyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1102082

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; Bi2Se; Bi-Se

OSTI Identifier:: 1751256

DOI:: https://doi.org/10.17188/1751256

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                    The Materials Project. Materials Data on Bi2Se by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751256.

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                    The Materials Project. Materials Data on Bi2Se by Materials Project.  United States.  doi:https://doi.org/10.17188/1751256

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                    The Materials Project. 2020.  
"Materials Data on Bi2Se by Materials Project".  United States.  doi:https://doi.org/10.17188/1751256.  https://www.osti.gov/servlets/purl/1751256. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1751256,

  title        = {Materials Data on Bi2Se by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi2Se crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Bi2Se ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Bi1+ sites. In the first Bi1+ site, Bi1+ is bonded in an L-shaped geometry to two equivalent Se2- atoms. There are one shorter (3.08 Å) and one longer (3.26 Å) Bi–Se bond lengths. In the second Bi1+ site, Bi1+ is bonded in a distorted T-shaped geometry to three equivalent Se2- atoms. There are a spread of Bi–Se bond distances ranging from 2.79–3.23 Å. Se2- is bonded to five Bi1+ atoms to form distorted edge-sharing SeBi5 square pyramids.},

  doi          = {10.17188/1751256},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751256

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