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Title: Materials Data on TiSe2 by Materials Project

Abstract

TiSe2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one TiSe2 sheet oriented in the (0, 0, 1) direction. Ti4+ is bonded to six equivalent Se2- atoms to form edge-sharing TiSe6 octahedra. All Ti–Se bond lengths are 2.57 Å. Se2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms.

Publication Date:
Other Number(s):
mp-2194
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; TiSe2; Se-Ti
OSTI Identifier:
1197256
DOI:
10.17188/1197256

Citation Formats

The Materials Project. Materials Data on TiSe2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1197256.
The Materials Project. Materials Data on TiSe2 by Materials Project. United States. doi:10.17188/1197256.
The Materials Project. 2017. "Materials Data on TiSe2 by Materials Project". United States. doi:10.17188/1197256. https://www.osti.gov/servlets/purl/1197256. Pub date:Fri May 19 00:00:00 EDT 2017
@article{osti_1197256,
title = {Materials Data on TiSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {TiSe2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one TiSe2 sheet oriented in the (0, 0, 1) direction. Ti4+ is bonded to six equivalent Se2- atoms to form edge-sharing TiSe6 octahedra. All Ti–Se bond lengths are 2.57 Å. Se2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms.},
doi = {10.17188/1197256},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

Dataset:

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