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Title: Materials Data on TiS3 by Materials Project

Abstract

TiS3 crystallizes in the trigonal R3m space group. The structure is one-dimensional and consists of three TiS3 ribbons oriented in the (0, 0, 1) direction. Ti2+ is bonded to six equivalent S+0.67- atoms to form distorted face-sharing TiS6 pentagonal pyramids. All Ti–S bond lengths are 2.39 Å. S+0.67- is bonded in a distorted L-shaped geometry to two equivalent Ti2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-559374
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; TiS3; S-Ti
OSTI Identifier:
1270828
DOI:
10.17188/1270828

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TiS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270828.
Persson, Kristin, & Project, Materials. Materials Data on TiS3 by Materials Project. United States. doi:10.17188/1270828.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TiS3 by Materials Project". United States. doi:10.17188/1270828. https://www.osti.gov/servlets/purl/1270828. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1270828,
title = {Materials Data on TiS3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TiS3 crystallizes in the trigonal R3m space group. The structure is one-dimensional and consists of three TiS3 ribbons oriented in the (0, 0, 1) direction. Ti2+ is bonded to six equivalent S+0.67- atoms to form distorted face-sharing TiS6 pentagonal pyramids. All Ti–S bond lengths are 2.39 Å. S+0.67- is bonded in a distorted L-shaped geometry to two equivalent Ti2+ atoms.},
doi = {10.17188/1270828},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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