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Title: Materials Data on Te2Mo(WS2)3 by Materials Project

Abstract

MoTe2(WS2)3 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoTe2 sheet oriented in the (0, 0, 1) direction and three WS2 sheets oriented in the (0, 0, 1) direction. In the MoTe2 sheet, Mo6+ is bonded in a 6-coordinate geometry to six Te2- atoms. All Mo–Te bond lengths are 2.70 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Mo6+ atoms. In the second Te2- site, Te2- is bonded to three equivalent Mo6+ atoms to form distorted corner-sharing TeMo3 cuboctahedra. In each WS2 sheet, W+3.33+ 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 W+3.33+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1029118
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; Te2Mo(WS2)3; Mo-S-Te-W
OSTI Identifier:
1405832
DOI:
https://doi.org/10.17188/1405832

Citation Formats

The Materials Project. Materials Data on Te2Mo(WS2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1405832.
The Materials Project. Materials Data on Te2Mo(WS2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1405832
The Materials Project. 2020. "Materials Data on Te2Mo(WS2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1405832. https://www.osti.gov/servlets/purl/1405832. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1405832,
title = {Materials Data on Te2Mo(WS2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {MoTe2(WS2)3 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoTe2 sheet oriented in the (0, 0, 1) direction and three WS2 sheets oriented in the (0, 0, 1) direction. In the MoTe2 sheet, Mo6+ is bonded in a 6-coordinate geometry to six Te2- atoms. All Mo–Te bond lengths are 2.70 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Mo6+ atoms. In the second Te2- site, Te2- is bonded to three equivalent Mo6+ atoms to form distorted corner-sharing TeMo3 cuboctahedra. In each WS2 sheet, W+3.33+ 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 W+3.33+ atoms.},
doi = {10.17188/1405832},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}