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Title: Materials Data on TiS2 by Materials Project

Abstract

TiS2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti4+ is bonded to twelve equivalent S2- atoms to form a mixture of edge and face-sharing TiS12 cuboctahedra. All Ti–S bond lengths are 2.89 Å. S2- is bonded in a 11-coordinate geometry to six equivalent Ti4+ and five equivalent S2- atoms. There are three shorter (2.49 Å) and two longer (2.93 Å) S–S bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-1008676
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:
1325098
DOI:
https://doi.org/10.17188/1325098

Citation Formats

The Materials Project. Materials Data on TiS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1325098.
The Materials Project. Materials Data on TiS2 by Materials Project. United States. doi:https://doi.org/10.17188/1325098
The Materials Project. 2020. "Materials Data on TiS2 by Materials Project". United States. doi:https://doi.org/10.17188/1325098. https://www.osti.gov/servlets/purl/1325098. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1325098,
title = {Materials Data on TiS2 by Materials Project},
author = {The Materials Project},
abstractNote = {TiS2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti4+ is bonded to twelve equivalent S2- atoms to form a mixture of edge and face-sharing TiS12 cuboctahedra. All Ti–S bond lengths are 2.89 Å. S2- is bonded in a 11-coordinate geometry to six equivalent Ti4+ and five equivalent S2- atoms. There are three shorter (2.49 Å) and two longer (2.93 Å) S–S bond lengths.},
doi = {10.17188/1325098},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}