U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Te2Mo2W(SeS)2 by Materials Project
Abstract
WTe2MoSe2MoS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoS2 sheet oriented in the (0, 0, 1) direction; one MoSe2 sheet oriented in the (0, 0, 1) direction; and one WTe2 sheet oriented in the (0, 0, 1) direction. In the MoS2 sheet, Mo+4.50+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.46 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.50+ atoms. In the MoSe2 sheet, Mo+4.50+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.55 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.50+ atoms. In the WTe2 sheet, W3+ is bonded to six Te2- atoms to form distorted edge-sharing WTe6 pentagonal pyramids. There are three shorter (2.71 Å) and three longer (2.72 Å) W–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent W3+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1025881
- 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; Te2Mo2W(SeS)2; Mo-S-Se-Te-W
- OSTI Identifier:
- 1356021
- DOI:
- https://doi.org/10.17188/1356021
Citation Formats
The Materials Project. Materials Data on Te2Mo2W(SeS)2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1356021.
The Materials Project. Materials Data on Te2Mo2W(SeS)2 by Materials Project. United States. doi:https://doi.org/10.17188/1356021
The Materials Project. 2017.
"Materials Data on Te2Mo2W(SeS)2 by Materials Project". United States. doi:https://doi.org/10.17188/1356021. https://www.osti.gov/servlets/purl/1356021. Pub date:Thu May 25 00:00:00 EDT 2017
@article{osti_1356021,
title = {Materials Data on Te2Mo2W(SeS)2 by Materials Project},
author = {The Materials Project},
abstractNote = {WTe2MoSe2MoS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoS2 sheet oriented in the (0, 0, 1) direction; one MoSe2 sheet oriented in the (0, 0, 1) direction; and one WTe2 sheet oriented in the (0, 0, 1) direction. In the MoS2 sheet, Mo+4.50+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.46 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.50+ atoms. In the MoSe2 sheet, Mo+4.50+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.55 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.50+ atoms. In the WTe2 sheet, W3+ is bonded to six Te2- atoms to form distorted edge-sharing WTe6 pentagonal pyramids. There are three shorter (2.71 Å) and three longer (2.72 Å) W–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent W3+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms.},
doi = {10.17188/1356021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu May 25 00:00:00 EDT 2017},
month = {Thu May 25 00:00:00 EDT 2017}
}