U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Te3MoWS by Materials Project
Abstract
WTe2(MoTe2)2WS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of two MoTe2 sheets oriented in the (0, 0, 1) direction; one WS2 sheet oriented in the (0, 0, 1) direction; and one WTe2 sheet oriented in the (0, 0, 1) direction. In each 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. 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 in a 3-coordinate geometry to three equivalent Mo6+ atoms. All Te–Mo bond lengths are 2.72 Å. In the WS2 sheet, W2+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.49 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent W2+ atoms. In the WTe2 sheet, W2+ 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 W2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1030195
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Mo-S-Te-W; Te3MoWS
- OSTI Identifier:
- 1405949
- DOI:
- https://doi.org/10.17188/1405949
Citation Formats
Materials Data on Te3MoWS by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1405949.
Materials Data on Te3MoWS by Materials Project. United States. doi:https://doi.org/10.17188/1405949
2020.
"Materials Data on Te3MoWS by Materials Project". United States. doi:https://doi.org/10.17188/1405949. https://www.osti.gov/servlets/purl/1405949. Pub date:Tue Apr 28 20:00:00 EDT 2020
@article{osti_1405949,
title = {Materials Data on Te3MoWS by Materials Project},
abstractNote = {WTe2(MoTe2)2WS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of two MoTe2 sheets oriented in the (0, 0, 1) direction; one WS2 sheet oriented in the (0, 0, 1) direction; and one WTe2 sheet oriented in the (0, 0, 1) direction. In each 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. 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 in a 3-coordinate geometry to three equivalent Mo6+ atoms. All Te–Mo bond lengths are 2.72 Å. In the WS2 sheet, W2+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.49 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent W2+ atoms. In the WTe2 sheet, W2+ 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 W2+ atoms.},
doi = {10.17188/1405949},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}