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Title: Materials Data on TeW2Se2S by Materials Project

Abstract

WTe2(WSe2)2WS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one WS2 sheet oriented in the (0, 0, 1) direction; two WSe2 sheets oriented in the (0, 0, 1) direction; and one WTe2 sheet oriented in the (0, 0, 1) direction. In the WS2 sheet, W4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.46 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In each WSe2 sheet, W4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.56 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the WTe2 sheet, W4+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing WTe6 pentagonal pyramids. All W–Te bond lengths are 2.71 Å. Te2- is bonded in a 12-coordinate geometry to three equivalent W4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1028743
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; TeW2Se2S; S-Se-Te-W
OSTI Identifier:
1405724
DOI:
https://doi.org/10.17188/1405724

Citation Formats

The Materials Project. Materials Data on TeW2Se2S by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1405724.
The Materials Project. Materials Data on TeW2Se2S by Materials Project. United States. doi:https://doi.org/10.17188/1405724
The Materials Project. 2020. "Materials Data on TeW2Se2S by Materials Project". United States. doi:https://doi.org/10.17188/1405724. https://www.osti.gov/servlets/purl/1405724. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1405724,
title = {Materials Data on TeW2Se2S by Materials Project},
author = {The Materials Project},
abstractNote = {WTe2(WSe2)2WS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one WS2 sheet oriented in the (0, 0, 1) direction; two WSe2 sheets oriented in the (0, 0, 1) direction; and one WTe2 sheet oriented in the (0, 0, 1) direction. In the WS2 sheet, W4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.46 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In each WSe2 sheet, W4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.56 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the WTe2 sheet, W4+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing WTe6 pentagonal pyramids. All W–Te bond lengths are 2.71 Å. Te2- is bonded in a 12-coordinate geometry to three equivalent W4+ atoms.},
doi = {10.17188/1405724},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}