skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Te2Mo3WS6 by Materials Project

Abstract

WTe2(MoS2)3 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of three MoS2 sheets oriented in the (0, 0, 1) direction and one WTe2 sheet oriented in the (0, 0, 1) direction. In each MoS2 sheet, Mo+4.67+ is bonded to six S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.44 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.67+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Mo+4.67+ atoms. In the WTe2 sheet, W2+ is bonded in a 6-coordinate geometry to six equivalent Te2- atoms. All W–Te bond lengths are 2.71 Å. Te2- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms.

Publication Date:
Other Number(s):
mp-1027612
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Te2Mo3WS6; Mo-S-Te-W
OSTI Identifier:
1405594
DOI:
10.17188/1405594

Citation Formats

The Materials Project. Materials Data on Te2Mo3WS6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1405594.
The Materials Project. Materials Data on Te2Mo3WS6 by Materials Project. United States. doi:10.17188/1405594.
The Materials Project. 2020. "Materials Data on Te2Mo3WS6 by Materials Project". United States. doi:10.17188/1405594. https://www.osti.gov/servlets/purl/1405594. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1405594,
title = {Materials Data on Te2Mo3WS6 by Materials Project},
author = {The Materials Project},
abstractNote = {WTe2(MoS2)3 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of three MoS2 sheets oriented in the (0, 0, 1) direction and one WTe2 sheet oriented in the (0, 0, 1) direction. In each MoS2 sheet, Mo+4.67+ is bonded to six S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.44 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.67+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Mo+4.67+ atoms. In the WTe2 sheet, W2+ is bonded in a 6-coordinate geometry to six equivalent Te2- atoms. All W–Te bond lengths are 2.71 Å. Te2- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms.},
doi = {10.17188/1405594},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: