Materials Data on BiTe3 by Materials Project

doi:10.17188/1206960

Title: Materials Data on BiTe3 by Materials Project

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Abstract

BiTe3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Bi5+ is bonded to six Te+1.67- atoms to form edge-sharing BiTe6 octahedra. There are three shorter (3.18 Å) and three longer (3.22 Å) Bi–Te bond lengths. There are three inequivalent Te+1.67- sites. In the first Te+1.67- site, Te+1.67- is bonded in a 6-coordinate geometry to six Te+1.67- atoms. There are three shorter (3.27 Å) and three longer (3.30 Å) Te–Te bond lengths. In the second Te+1.67- site, Te+1.67- is bonded in a 6-coordinate geometry to three equivalent Bi5+ and three equivalent Te+1.67- atoms. In the third Te+1.67- site, Te+1.67- is bonded to three equivalent Bi5+ and three equivalent Te+1.67- atoms to form distorted edge-sharing TeBi3Te3 octahedra.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-35216

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; BiTe3; Bi-Te

OSTI Identifier:: 1206960

DOI:: https://doi.org/10.17188/1206960

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                    The Materials Project. Materials Data on BiTe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206960.

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                    The Materials Project. Materials Data on BiTe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206960

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                    The Materials Project. 2020.  
"Materials Data on BiTe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206960.  https://www.osti.gov/servlets/purl/1206960. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1206960,

  title        = {Materials Data on BiTe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BiTe3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Bi5+ is bonded to six Te+1.67- atoms to form edge-sharing BiTe6 octahedra. There are three shorter (3.18 Å) and three longer (3.22 Å) Bi–Te bond lengths. There are three inequivalent Te+1.67- sites. In the first Te+1.67- site, Te+1.67- is bonded in a 6-coordinate geometry to six Te+1.67- atoms. There are three shorter (3.27 Å) and three longer (3.30 Å) Te–Te bond lengths. In the second Te+1.67- site, Te+1.67- is bonded in a 6-coordinate geometry to three equivalent Bi5+ and three equivalent Te+1.67- atoms. In the third Te+1.67- site, Te+1.67- is bonded to three equivalent Bi5+ and three equivalent Te+1.67- atoms to form distorted edge-sharing TeBi3Te3 octahedra.},

  doi          = {10.17188/1206960},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1206960

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