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Title: Materials Data on TiSe by Materials Project

Abstract

TiSe is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent Se2- atoms to form a mixture of distorted face, edge, and corner-sharing TiSe6 octahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of Ti–Se bond distances ranging from 2.55–2.77 Å. Se2- is bonded in a 6-coordinate geometry to six equivalent Ti2+ atoms.

Publication Date:
Other Number(s):
mp-571651
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:
1276376
DOI:
10.17188/1276376

Citation Formats

The Materials Project. Materials Data on TiSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276376.
The Materials Project. Materials Data on TiSe by Materials Project. United States. doi:10.17188/1276376.
The Materials Project. 2020. "Materials Data on TiSe by Materials Project". United States. doi:10.17188/1276376. https://www.osti.gov/servlets/purl/1276376. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1276376,
title = {Materials Data on TiSe by Materials Project},
author = {The Materials Project},
abstractNote = {TiSe is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent Se2- atoms to form a mixture of distorted face, edge, and corner-sharing TiSe6 octahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of Ti–Se bond distances ranging from 2.55–2.77 Å. Se2- is bonded in a 6-coordinate geometry to six equivalent Ti2+ atoms.},
doi = {10.17188/1276376},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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