Materials Data on Bi2Te3 by Materials Project

doi:10.17188/1206742

Title: Materials Data on Bi2Te3 by Materials Project

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Abstract

Bi2Te3 is MAX Phase-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Bi2Te3 sheets oriented in the (0, 0, 1) direction. Bi3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing BiTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.10 Å) and three longer (3.29 Å) Bi–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Bi3+ atoms. In the second Te2- site, Te2- is bonded to six equivalent Bi3+ atoms to form edge-sharing TeBi6 octahedra.

Publication Date:: 2020-07-15

Other Number(s):: mp-34202

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-Te; Bi2Te3; crystal structure

OSTI Identifier:: 1206742

DOI:: https://doi.org/10.17188/1206742

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                    Materials Data on Bi2Te3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206742.

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                    Materials Data on Bi2Te3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206742

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                    2020.  
"Materials Data on Bi2Te3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206742.  https://www.osti.gov/servlets/purl/1206742. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1206742,

  title        = {Materials Data on Bi2Te3 by Materials Project},

  
  abstractNote = {Bi2Te3 is MAX Phase-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Bi2Te3 sheets oriented in the (0, 0, 1) direction. Bi3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing BiTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.10 Å) and three longer (3.29 Å) Bi–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Bi3+ atoms. In the second Te2- site, Te2- is bonded to six equivalent Bi3+ atoms to form edge-sharing TeBi6 octahedra.},

  doi          = {10.17188/1206742},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1206742

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