U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TeMoSe by Materials Project
Abstract
MoTeSe 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 and one MoTe2 sheet oriented in the (0, 0, 1) direction. In the MoSe2 sheet, Mo4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.57 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms. In the MoTe2 sheet, Mo4+ 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 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-1023948
- 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-Se-Te; TeMoSe; crystal structure
- OSTI Identifier:
- 1354969
- DOI:
- https://doi.org/10.17188/1354969
Citation Formats
Materials Data on TeMoSe by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1354969.
Materials Data on TeMoSe by Materials Project. United States. doi:https://doi.org/10.17188/1354969
2020.
"Materials Data on TeMoSe by Materials Project". United States. doi:https://doi.org/10.17188/1354969. https://www.osti.gov/servlets/purl/1354969. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1354969,
title = {Materials Data on TeMoSe by Materials Project},
abstractNote = {MoTeSe 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 and one MoTe2 sheet oriented in the (0, 0, 1) direction. In the MoSe2 sheet, Mo4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.57 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms. In the MoTe2 sheet, Mo4+ 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 Mo4+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent Mo4+ atoms.},
doi = {10.17188/1354969},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}