Materials Data on Sb2Te3 by Materials Project

doi:10.17188/1701318

Title: Materials Data on Sb2Te3 by Materials Project

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Abstract

Sb2Te3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Sb2Te3 sheets oriented in the (1, 0, 0) direction. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to five Te2- atoms. There are a spread of Sb–Te bond distances ranging from 2.85–3.53 Å. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three Te2- atoms. There are one shorter (3.14 Å) and two longer (3.48 Å) Sb–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three Sb3+ and three Te2- atoms. There are two shorter (3.13 Å) and one longer (3.21 Å) Te–Te bond lengths. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Sb3+ and three Te2- atoms. There are one shorter (2.83 Å) and one longer (2.91 Å) Te–Te bond lengths. In the third Te2- site, Te2- is bonded in a 7-coordinate geometry to three Sb3+ and four Te2- atoms.

Publication Date:: Sat Apr 14 04:00:00 UTC 2018

Other Number(s):: mp-1079094

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; Sb-Te; Sb2Te3; crystal structure

OSTI Identifier:: 1701318

DOI:: https://doi.org/10.17188/1701318

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                    Materials Data on Sb2Te3 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1701318.

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                    Materials Data on Sb2Te3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1701318

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                    2018.  
"Materials Data on Sb2Te3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1701318.  https://www.osti.gov/servlets/purl/1701318. Pub date:Sat Apr 14 04:00:00 UTC 2018

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@article{osti_1701318,

  title        = {Materials Data on Sb2Te3 by Materials Project},

  
  abstractNote = {Sb2Te3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Sb2Te3 sheets oriented in the (1, 0, 0) direction. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to five Te2- atoms. There are a spread of Sb–Te bond distances ranging from 2.85–3.53 Å. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three Te2- atoms. There are one shorter (3.14 Å) and two longer (3.48 Å) Sb–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three Sb3+ and three Te2- atoms. There are two shorter (3.13 Å) and one longer (3.21 Å) Te–Te bond lengths. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Sb3+ and three Te2- atoms. There are one shorter (2.83 Å) and one longer (2.91 Å) Te–Te bond lengths. In the third Te2- site, Te2- is bonded in a 7-coordinate geometry to three Sb3+ and four Te2- atoms.},

  doi          = {10.17188/1701318},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Apr 14 04:00:00 UTC 2018},

  month        = {Sat Apr 14 04:00:00 UTC 2018}

}

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DOI: https://doi.org/10.17188/1701318

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