Materials Data on Sb2Te3 by Materials Project

doi:10.17188/1680606

Title: Materials Data on Sb2Te3 by Materials Project

Abstract

Sb2Te3 is Molybdenum Carbide MAX Phase-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with six SbTe6 octahedra, edges with four equivalent TeTe6 octahedra, and edges with eight SbTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Sb–Te bond distances ranging from 3.08–3.22 Å. In the second Sb3+ site, Sb3+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with two equivalent TeTe6 octahedra, corners with four SbTe6 octahedra, an edgeedge with one TeTe6 octahedra, and edges with eleven SbTe6 octahedra. The corner-sharing octahedra tilt angles range from 3–5°. There are a spread of Sb–Te bond distances ranging from 3.07–3.28 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four Sb3+ and two equivalent Te2- atoms to form a mixture of edge and corner-sharing TeSb4Te2 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. Both Te–Te bond lengths are 3.36 Å. In the second Te2- site, Te2- is bonded to six Sb3+ atomsmore »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1080789

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; Sb2Te3; Sb-Te

OSTI Identifier:: 1680606

DOI:: https://doi.org/10.17188/1680606

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                    The Materials Project. Materials Data on Sb2Te3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680606.

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                    The Materials Project. Materials Data on Sb2Te3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680606

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                    The Materials Project. 2020.  
"Materials Data on Sb2Te3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680606.  https://www.osti.gov/servlets/purl/1680606. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1680606,

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

  author       = {The Materials Project},

  abstractNote = {Sb2Te3 is Molybdenum Carbide MAX Phase-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with six SbTe6 octahedra, edges with four equivalent TeTe6 octahedra, and edges with eight SbTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Sb–Te bond distances ranging from 3.08–3.22 Å. In the second Sb3+ site, Sb3+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with two equivalent TeTe6 octahedra, corners with four SbTe6 octahedra, an edgeedge with one TeTe6 octahedra, and edges with eleven SbTe6 octahedra. The corner-sharing octahedra tilt angles range from 3–5°. There are a spread of Sb–Te bond distances ranging from 3.07–3.28 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four Sb3+ and two equivalent Te2- atoms to form a mixture of edge and corner-sharing TeSb4Te2 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. Both Te–Te bond lengths are 3.36 Å. In the second Te2- site, Te2- is bonded to six Sb3+ atoms to form a mixture of edge and corner-sharing TeSb6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. In the third Te2- site, Te2- is bonded to four equivalent Sb3+ and two equivalent Te2- atoms to form TeSb4Te2 octahedra that share corners with six TeSb6 octahedra and edges with twelve TeSb4Te2 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. Both Te–Te bond lengths are 3.12 Å. In the fourth Te2- site, Te2- is bonded to six Te2- atoms to form TeTe6 octahedra that share corners with two equivalent TeTe6 octahedra, corners with four equivalent SbTe6 octahedra, edges with two equivalent TeTe6 octahedra, and edges with ten SbTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°.},

  doi          = {10.17188/1680606},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1680606

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Works referenced in this record:

Formation of Sb2Te3 Widmanstätten precipitates in thermoelectric PbTe
journal, February 2009

Ikeda, T.; Ravi, V.; Snyder, G.
Acta Materialia, Vol. 57, Issue 3
https://doi.org/10.1016/j.actamat.2008.10.005

Microstructural refinement of cast p-type Bi2Te3–Sb2Te3 by equal channel angular extrusion
journal, January 2004

Im, Jae-Taek; Hartwig, K. Ted.; Sharp, Jeff
Acta Materialia, Vol. 52, Issue 1
https://doi.org/10.1016/j.actamat.2003.08.025

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Similar Records

Title: Materials Data on Sb2Te3 by Materials Project

Abstract

Citation Formats

Formation of Sb2Te3 Widmanstätten precipitates in thermoelectric PbTe journal, February 2009

Microstructural refinement of cast p-type Bi2Te3–Sb2Te3 by equal channel angular extrusion journal, January 2004

Formation of Sb2Te3 Widmanstätten precipitates in thermoelectric PbTe
journal, February 2009

Microstructural refinement of cast p-type Bi2Te3–Sb2Te3 by equal channel angular extrusion
journal, January 2004