Materials Data on TeW2S3 by Materials Project

doi:10.17188/1405672

Title: Materials Data on TeW2S3 by Materials Project

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Abstract

WTe2(WS2)3 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of three WS2 sheets oriented in the (0, 0, 1) direction and one WTe2 sheet oriented in the (0, 0, 1) direction. In each WS2 sheet, W4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.44 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the WTe2 sheet, W4+ is bonded in a 6-coordinate geometry to six Te2- atoms. All W–Te bond lengths are 2.71 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent W4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-1028492

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; TeW2S3; S-Te-W

OSTI Identifier:: 1405672

DOI:: https://doi.org/10.17188/1405672

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                    The Materials Project. Materials Data on TeW2S3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1405672.

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                    The Materials Project. Materials Data on TeW2S3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1405672

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                    The Materials Project. 2020.  
"Materials Data on TeW2S3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1405672.  https://www.osti.gov/servlets/purl/1405672. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1405672,

  title        = {Materials Data on TeW2S3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WTe2(WS2)3 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of three WS2 sheets oriented in the (0, 0, 1) direction and one WTe2 sheet oriented in the (0, 0, 1) direction. In each WS2 sheet, W4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.44 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the WTe2 sheet, W4+ is bonded in a 6-coordinate geometry to six Te2- atoms. All W–Te bond lengths are 2.71 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent W4+ atoms.},

  doi          = {10.17188/1405672},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1405672

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