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Title: Materials Data on TiS3 by Materials Project

Abstract

TiS3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one TiS3 sheet oriented in the (0, 0, 1) direction. Ti2+ is bonded in a 8-coordinate geometry to eight S+0.67- atoms. There are a spread of Ti–S bond distances ranging from 2.47–2.67 Å. There are two inequivalent S+0.67- sites. In the first S+0.67- site, S+0.67- is bonded in a 2-coordinate geometry to two equivalent Ti2+ atoms. In the second S+0.67- site, S+0.67- is bonded to four equivalent Ti2+ atoms to form a mixture of distorted edge and corner-sharing STi4 trigonal pyramids.

Publication Date:
Other Number(s):
mp-9920
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:
1316982
DOI:
https://doi.org/10.17188/1316982

Citation Formats

The Materials Project. Materials Data on TiS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316982.
The Materials Project. Materials Data on TiS3 by Materials Project. United States. doi:https://doi.org/10.17188/1316982
The Materials Project. 2020. "Materials Data on TiS3 by Materials Project". United States. doi:https://doi.org/10.17188/1316982. https://www.osti.gov/servlets/purl/1316982. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1316982,
title = {Materials Data on TiS3 by Materials Project},
author = {The Materials Project},
abstractNote = {TiS3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one TiS3 sheet oriented in the (0, 0, 1) direction. Ti2+ is bonded in a 8-coordinate geometry to eight S+0.67- atoms. There are a spread of Ti–S bond distances ranging from 2.47–2.67 Å. There are two inequivalent S+0.67- sites. In the first S+0.67- site, S+0.67- is bonded in a 2-coordinate geometry to two equivalent Ti2+ atoms. In the second S+0.67- site, S+0.67- is bonded to four equivalent Ti2+ atoms to form a mixture of distorted edge and corner-sharing STi4 trigonal pyramids.},
doi = {10.17188/1316982},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}