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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 one TiS2 sheet oriented in the (0, 0, 1) direction. Ti4+ is bonded to six equivalent S2- atoms to form edge-sharing TiS6 octahedra. All Ti–S bond lengths are 2.43 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-558110
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; TiS2; S-Ti
OSTI Identifier:
1270160
DOI:
10.17188/1270160

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TiS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270160.
Persson, Kristin, & Project, Materials. Materials Data on TiS2 by Materials Project. United States. doi:10.17188/1270160.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TiS2 by Materials Project". United States. doi:10.17188/1270160. https://www.osti.gov/servlets/purl/1270160. Pub date:Sat May 30 00:00:00 EDT 2020
@article{osti_1270160,
title = {Materials Data on TiS2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TiS2 is trigonal omega-like structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one TiS2 sheet oriented in the (0, 0, 1) direction. Ti4+ is bonded to six equivalent S2- atoms to form edge-sharing TiS6 octahedra. All Ti–S bond lengths are 2.43 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms.},
doi = {10.17188/1270160},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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