U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Te4Mo3S2 by Materials Project
Abstract
(MoTe2)2MoS2 is Molybdenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one MoS2 sheet oriented in the (0, 0, 1) direction and two MoTe2 sheets oriented in the (0, 0, 1) direction. In the MoS2 sheet, Mo4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.48 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Mo4+ atoms. In each MoTe2 sheet, Mo4+ is bonded to six Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. There are three shorter (2.71 Å) and three longer (2.72 Å) Mo–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 Mo4+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent Mo4+ atoms.
- Publication Date:
- Other Number(s):
- mp-1025769
- 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; Mo-S-Te; Te4Mo3S2; crystal structure
- OSTI Identifier:
- 1356054
- DOI:
- https://doi.org/10.17188/1356054
Citation Formats
Materials Data on Te4Mo3S2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1356054.
Materials Data on Te4Mo3S2 by Materials Project. United States. doi:https://doi.org/10.17188/1356054
2020.
"Materials Data on Te4Mo3S2 by Materials Project". United States. doi:https://doi.org/10.17188/1356054. https://www.osti.gov/servlets/purl/1356054. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1356054,
title = {Materials Data on Te4Mo3S2 by Materials Project},
abstractNote = {(MoTe2)2MoS2 is Molybdenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one MoS2 sheet oriented in the (0, 0, 1) direction and two MoTe2 sheets oriented in the (0, 0, 1) direction. In the MoS2 sheet, Mo4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.48 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Mo4+ atoms. In each MoTe2 sheet, Mo4+ is bonded to six Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. There are three shorter (2.71 Å) and three longer (2.72 Å) Mo–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 Mo4+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent Mo4+ atoms.},
doi = {10.17188/1356054},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}