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Title: Materials Data on Te6MoW3S2 by Materials Project

Abstract

(WTe2)2MoTe2WS2 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; one WS2 sheet oriented in the (0, 0, 1) direction; and two WTe2 sheets oriented in the (0, 0, 1) direction. In the MoTe2 sheet, Mo6+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. All Mo–Te bond lengths are 2.72 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Mo6+ atoms. In the WS2 sheet, W+3.33+ is bonded to six S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.49 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent W+3.33+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent W+3.33+ atoms. In each WTe2 sheet, W+3.33+ is bonded to six Te2- atoms to form distorted edge-sharing WTe6 pentagonal pyramids. There are three shorter (2.72 Å) and three longer (2.73 Å) W–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- ismore » bonded in a 3-coordinate geometry to three equivalent W+3.33+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent W+3.33+ atoms.« less

Publication Date:
Other Number(s):
mp-1030247
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; Te6MoW3S2; Mo-S-Te-W
OSTI Identifier:
1405984
DOI:
https://doi.org/10.17188/1405984

Citation Formats

The Materials Project. Materials Data on Te6MoW3S2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1405984.
The Materials Project. Materials Data on Te6MoW3S2 by Materials Project. United States. doi:https://doi.org/10.17188/1405984
The Materials Project. 2020. "Materials Data on Te6MoW3S2 by Materials Project". United States. doi:https://doi.org/10.17188/1405984. https://www.osti.gov/servlets/purl/1405984. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1405984,
title = {Materials Data on Te6MoW3S2 by Materials Project},
author = {The Materials Project},
abstractNote = {(WTe2)2MoTe2WS2 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; one WS2 sheet oriented in the (0, 0, 1) direction; and two WTe2 sheets oriented in the (0, 0, 1) direction. In the MoTe2 sheet, Mo6+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. All Mo–Te bond lengths are 2.72 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Mo6+ atoms. In the WS2 sheet, W+3.33+ is bonded to six S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.49 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent W+3.33+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent W+3.33+ atoms. In each WTe2 sheet, W+3.33+ is bonded to six Te2- atoms to form distorted edge-sharing WTe6 pentagonal pyramids. There are three shorter (2.72 Å) and three longer (2.73 Å) W–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent W+3.33+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent W+3.33+ atoms.},
doi = {10.17188/1405984},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}