U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Te4Mo2WSe2 by Materials Project
Abstract
WTe2MoTe2MoSe2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoSe2 sheet oriented in the (0, 0, 1) direction; one MoTe2 sheet oriented in the (0, 0, 1) direction; and one WTe2 sheet oriented in the (0, 0, 1) direction. In the MoSe2 sheet, Mo+4.50+ is bonded to six Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.58 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.50+ atoms. In the second Se2- site, Se2- is bonded in a distorted T-shaped geometry to three equivalent Mo+4.50+ atoms. In the MoTe2 sheet, Mo+4.50+ is bonded to six Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. All Mo–Te bond lengths are 2.72 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.50+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent Mo+4.50+ atoms. In the WTe2 sheet, W3+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing WTe6 pentagonal pyramids.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1025752
- 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; Te4Mo2WSe2; Mo-Se-Te-W
- OSTI Identifier:
- 1356015
- DOI:
- https://doi.org/10.17188/1356015
Citation Formats
The Materials Project. Materials Data on Te4Mo2WSe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1356015.
The Materials Project. Materials Data on Te4Mo2WSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1356015
The Materials Project. 2020.
"Materials Data on Te4Mo2WSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1356015. https://www.osti.gov/servlets/purl/1356015. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1356015,
title = {Materials Data on Te4Mo2WSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {WTe2MoTe2MoSe2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoSe2 sheet oriented in the (0, 0, 1) direction; one MoTe2 sheet oriented in the (0, 0, 1) direction; and one WTe2 sheet oriented in the (0, 0, 1) direction. In the MoSe2 sheet, Mo+4.50+ is bonded to six Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.58 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.50+ atoms. In the second Se2- site, Se2- is bonded in a distorted T-shaped geometry to three equivalent Mo+4.50+ atoms. In the MoTe2 sheet, Mo+4.50+ is bonded to six Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. All Mo–Te bond lengths are 2.72 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.50+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent Mo+4.50+ atoms. In the WTe2 sheet, W3+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing WTe6 pentagonal pyramids. All W–Te bond lengths are 2.73 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms.},
doi = {10.17188/1356015},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}