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Title: Materials Data on TeMo2S3 by Materials Project

Abstract

MoS2MoTeS is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoS2 sheet oriented in the (0, 0, 1) direction and one MoTeS sheet 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 2.44 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms. In the MoTeS sheet, Mo4+ is bonded in a 6-coordinate geometry to three equivalent Te2- and three equivalent S2- atoms. All Mo–Te bond lengths are 2.72 Å. All Mo–S bond lengths are 2.42 Å. Te2- is bonded in a 12-coordinate geometry to three equivalent Mo4+ atoms. S2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.

Publication Date:
Other Number(s):
mp-1217334
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TeMo2S3; Mo-S-Te
OSTI Identifier:
1726908
DOI:
https://doi.org/10.17188/1726908

Citation Formats

The Materials Project. Materials Data on TeMo2S3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1726908.
The Materials Project. Materials Data on TeMo2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1726908
The Materials Project. 2019. "Materials Data on TeMo2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1726908. https://www.osti.gov/servlets/purl/1726908. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1726908,
title = {Materials Data on TeMo2S3 by Materials Project},
author = {The Materials Project},
abstractNote = {MoS2MoTeS is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoS2 sheet oriented in the (0, 0, 1) direction and one MoTeS sheet 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 2.44 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms. In the MoTeS sheet, Mo4+ is bonded in a 6-coordinate geometry to three equivalent Te2- and three equivalent S2- atoms. All Mo–Te bond lengths are 2.72 Å. All Mo–S bond lengths are 2.42 Å. Te2- is bonded in a 12-coordinate geometry to three equivalent Mo4+ atoms. S2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.},
doi = {10.17188/1726908},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}