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Title: Materials Data on TeMo2Se3 by Materials Project

Abstract

MoTe2(MoSe2)3 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of three MoSe2 sheets oriented in the (0, 0, 1) direction and one MoTe2 sheet oriented in the (0, 0, 1) direction. In each MoSe2 sheet, Mo4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.56 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 2.71 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.

Authors:
Publication Date:
Other Number(s):
mp-1027818
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; TeMo2Se3; Mo-Se-Te
OSTI Identifier:
1405639
DOI:
https://doi.org/10.17188/1405639

Citation Formats

The Materials Project. Materials Data on TeMo2Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1405639.
The Materials Project. Materials Data on TeMo2Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1405639
The Materials Project. 2020. "Materials Data on TeMo2Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1405639. https://www.osti.gov/servlets/purl/1405639. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1405639,
title = {Materials Data on TeMo2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {MoTe2(MoSe2)3 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of three MoSe2 sheets oriented in the (0, 0, 1) direction and one MoTe2 sheet oriented in the (0, 0, 1) direction. In each MoSe2 sheet, Mo4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.56 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 2.71 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 = {10.17188/1405639},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}