Materials Data on Sb8Te3 by Materials Project

doi:10.17188/1189216

Title: Materials Data on Sb8Te3 by Materials Project

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Abstract

Sb8Te3 is Calaverite-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of twelve stibium metallicum molecules and three Sb4Te3 sheets oriented in the (0, 0, 1) direction. In each Sb4Te3 sheet, there are two inequivalent Sb+0.75+ sites. In the first Sb+0.75+ site, Sb+0.75+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing SbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.04 Å) and three longer (3.20 Å) Sb–Te bond lengths. In the second Sb+0.75+ site, Sb+0.75+ is bonded in a 3-coordinate geometry to three equivalent Te2- atoms. All Sb–Te bond lengths are 3.57 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six Sb+0.75+ atoms to form a mixture of distorted edge and corner-sharing TeSb6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Te2- site, Te2- is bonded to six equivalent Sb+0.75+ atoms to form a mixture of edge and corner-sharing TeSb6 octahedra. The corner-sharing octahedral tilt angles are 4°.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-12826

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; Sb8Te3; Sb-Te

OSTI Identifier:: 1189216

DOI:: https://doi.org/10.17188/1189216

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                    The Materials Project. Materials Data on Sb8Te3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189216.

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                    The Materials Project. Materials Data on Sb8Te3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189216

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                    The Materials Project. 2020.  
"Materials Data on Sb8Te3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189216.  https://www.osti.gov/servlets/purl/1189216. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1189216,

  title        = {Materials Data on Sb8Te3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sb8Te3 is Calaverite-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of twelve stibium metallicum molecules and three Sb4Te3 sheets oriented in the (0, 0, 1) direction. In each Sb4Te3 sheet, there are two inequivalent Sb+0.75+ sites. In the first Sb+0.75+ site, Sb+0.75+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing SbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.04 Å) and three longer (3.20 Å) Sb–Te bond lengths. In the second Sb+0.75+ site, Sb+0.75+ is bonded in a 3-coordinate geometry to three equivalent Te2- atoms. All Sb–Te bond lengths are 3.57 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six Sb+0.75+ atoms to form a mixture of distorted edge and corner-sharing TeSb6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Te2- site, Te2- is bonded to six equivalent Sb+0.75+ atoms to form a mixture of edge and corner-sharing TeSb6 octahedra. The corner-sharing octahedral tilt angles are 4°.},

  doi          = {10.17188/1189216},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189216

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