Materials Data on Bi2TeSe2 by Materials Project

doi:10.17188/1205632

Title: Materials Data on Bi2TeSe2 by Materials Project

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Abstract

Bi2Se2Te is Calaverite-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Bi2Se2Te sheets oriented in the (0, 0, 1) direction. Bi3+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form a mixture of distorted edge and corner-sharing BiTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Te bond lengths are 3.26 Å. All Bi–Se bond lengths are 2.90 Å. Te2- is bonded to six equivalent Bi3+ atoms to form edge-sharing TeBi6 octahedra. Se2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-31406

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; Bi2TeSe2; Bi-Se-Te

OSTI Identifier:: 1205632

DOI:: https://doi.org/10.17188/1205632

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                    The Materials Project. Materials Data on Bi2TeSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205632.

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                    The Materials Project. Materials Data on Bi2TeSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205632

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                    The Materials Project. 2020.  
"Materials Data on Bi2TeSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205632.  https://www.osti.gov/servlets/purl/1205632. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1205632,

  title        = {Materials Data on Bi2TeSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi2Se2Te is Calaverite-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Bi2Se2Te sheets oriented in the (0, 0, 1) direction. Bi3+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form a mixture of distorted edge and corner-sharing BiTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Te bond lengths are 3.26 Å. All Bi–Se bond lengths are 2.90 Å. Te2- is bonded to six equivalent Bi3+ atoms to form edge-sharing TeBi6 octahedra. Se2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms.},

  doi          = {10.17188/1205632},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205632

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