Materials Data on W3(SeS2)2 by Materials Project

doi:10.17188/1356009

Title: Materials Data on W3(SeS2)2 by Materials Project

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Abstract

WSe2(WS2)2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of two WS2 sheets oriented in the (0, 0, 1) direction and one WSe2 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 2.43 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the WSe2 sheet, W4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.54 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms.

Publication Date:: 2020-07-22

Other Number(s):: mp-1025577

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; S-Se-W; W3(SeS2)2; crystal structure

OSTI Identifier:: 1356009

DOI:: https://doi.org/10.17188/1356009

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                    Materials Data on W3(SeS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1356009.

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                    Materials Data on W3(SeS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1356009

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                    2020.  
"Materials Data on W3(SeS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1356009.  https://www.osti.gov/servlets/purl/1356009. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1356009,

  title        = {Materials Data on W3(SeS2)2 by Materials Project},

  
  abstractNote = {WSe2(WS2)2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of two WS2 sheets oriented in the (0, 0, 1) direction and one WSe2 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 2.43 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the WSe2 sheet, W4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.54 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms.},

  doi          = {10.17188/1356009},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1356009

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