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Title: Materials Data on TiS by Materials Project

Abstract

TiS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent S2- atoms to form a mixture of distorted edge and corner-sharing TiS6 pentagonal pyramids. All Ti–S bond lengths are 2.50 Å. S2- is bonded to six equivalent Ti2+ atoms to form a mixture of edge, corner, and face-sharing STi6 octahedra. The corner-sharing octahedral tilt angles are 45°.

Publication Date:
Other Number(s):
mp-545
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; TiS; S-Ti
OSTI Identifier:
1266985
DOI:
https://doi.org/10.17188/1266985

Citation Formats

The Materials Project. Materials Data on TiS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266985.
The Materials Project. Materials Data on TiS by Materials Project. United States. doi:https://doi.org/10.17188/1266985
The Materials Project. 2020. "Materials Data on TiS by Materials Project". United States. doi:https://doi.org/10.17188/1266985. https://www.osti.gov/servlets/purl/1266985. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1266985,
title = {Materials Data on TiS by Materials Project},
author = {The Materials Project},
abstractNote = {TiS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent S2- atoms to form a mixture of distorted edge and corner-sharing TiS6 pentagonal pyramids. All Ti–S bond lengths are 2.50 Å. S2- is bonded to six equivalent Ti2+ atoms to form a mixture of edge, corner, and face-sharing STi6 octahedra. The corner-sharing octahedral tilt angles are 45°.},
doi = {10.17188/1266985},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}