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Title: Materials Data on TiSe by Materials Project

Abstract

TiSe is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent Se2- atoms to form a mixture of distorted corner and edge-sharing TiSe6 pentagonal pyramids. All Ti–Se bond lengths are 2.64 Å. Se2- is bonded to six equivalent Ti2+ atoms to form a mixture of corner, edge, and face-sharing SeTi6 octahedra. The corner-sharing octahedral tilt angles are 44°.

Publication Date:
Other Number(s):
mp-10027
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; TiSe; Se-Ti
OSTI Identifier:
1185063
DOI:
10.17188/1185063

Citation Formats

The Materials Project. Materials Data on TiSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1185063.
The Materials Project. Materials Data on TiSe by Materials Project. United States. doi:10.17188/1185063.
The Materials Project. 2020. "Materials Data on TiSe by Materials Project". United States. doi:10.17188/1185063. https://www.osti.gov/servlets/purl/1185063. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1185063,
title = {Materials Data on TiSe by Materials Project},
author = {The Materials Project},
abstractNote = {TiSe is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent Se2- atoms to form a mixture of distorted corner and edge-sharing TiSe6 pentagonal pyramids. All Ti–Se bond lengths are 2.64 Å. Se2- is bonded to six equivalent Ti2+ atoms to form a mixture of corner, edge, and face-sharing SeTi6 octahedra. The corner-sharing octahedral tilt angles are 44°.},
doi = {10.17188/1185063},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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