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

Title: Materials Data on Te2MoW2(SeS)2 by Materials Project

Abstract

MoTe2WSe2WS2 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 one WSe2 sheet 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. There are three shorter (2.70 Å) and three longer (2.71 Å) Mo–Te bond lengths. Te2- is bonded in a 12-coordinate geometry to three equivalent Mo6+ atoms. In the WS2 sheet, W3+ is bonded to six S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.46 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent W3+ atoms. In the WSe2 sheet, W3+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. There are three shorter (2.55 Å) and three longer (2.56 Å) W–Se bond lengths. Se2- is bonded in a 3-coordinatemore » geometry to three equivalent W3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1025768
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; Te2MoW2(SeS)2; Mo-S-Se-Te-W
OSTI Identifier:
1356068
DOI:
https://doi.org/10.17188/1356068

Citation Formats

The Materials Project. Materials Data on Te2MoW2(SeS)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1356068.
The Materials Project. Materials Data on Te2MoW2(SeS)2 by Materials Project. United States. doi:https://doi.org/10.17188/1356068
The Materials Project. 2020. "Materials Data on Te2MoW2(SeS)2 by Materials Project". United States. doi:https://doi.org/10.17188/1356068. https://www.osti.gov/servlets/purl/1356068. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1356068,
title = {Materials Data on Te2MoW2(SeS)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MoTe2WSe2WS2 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 one WSe2 sheet 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. There are three shorter (2.70 Å) and three longer (2.71 Å) Mo–Te bond lengths. Te2- is bonded in a 12-coordinate geometry to three equivalent Mo6+ atoms. In the WS2 sheet, W3+ is bonded to six S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.46 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent W3+ atoms. In the WSe2 sheet, W3+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. There are three shorter (2.55 Å) and three longer (2.56 Å) W–Se bond lengths. Se2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms.},
doi = {10.17188/1356068},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}