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Title: Materials Data on TiS2 by Materials Project

Abstract

TiS2 is trigonal omega-like structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two TiS2 sheets oriented in the (0, 0, 1) direction. Ti4+ is bonded to six S2- atoms to form edge-sharing TiS6 octahedra. All Ti–S bond lengths are 2.43 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1077263
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; TiS2; S-Ti
OSTI Identifier:
1753244
DOI:
https://doi.org/10.17188/1753244

Citation Formats

The Materials Project. Materials Data on TiS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753244.
The Materials Project. Materials Data on TiS2 by Materials Project. United States. doi:https://doi.org/10.17188/1753244
The Materials Project. 2020. "Materials Data on TiS2 by Materials Project". United States. doi:https://doi.org/10.17188/1753244. https://www.osti.gov/servlets/purl/1753244. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1753244,
title = {Materials Data on TiS2 by Materials Project},
author = {The Materials Project},
abstractNote = {TiS2 is trigonal omega-like structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two TiS2 sheets oriented in the (0, 0, 1) direction. Ti4+ is bonded to six S2- atoms to form edge-sharing TiS6 octahedra. All Ti–S bond lengths are 2.43 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms.},
doi = {10.17188/1753244},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}