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Title: Materials Data on Ti4O5 by Materials Project

Abstract

Ti4O5 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ti+2.50+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–11°. There are a spread of Ti–O bond distances ranging from 2.01–2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Ti+2.50+ atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the second O2- site, O2- is bonded in a square co-planar geometry to four equivalent Ti+2.50+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-10734
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; Ti4O5; O-Ti
OSTI Identifier:
1187321
DOI:
10.17188/1187321

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ti4O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187321.
Persson, Kristin, & Project, Materials. Materials Data on Ti4O5 by Materials Project. United States. doi:10.17188/1187321.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ti4O5 by Materials Project". United States. doi:10.17188/1187321. https://www.osti.gov/servlets/purl/1187321. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187321,
title = {Materials Data on Ti4O5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ti4O5 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ti+2.50+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–11°. There are a spread of Ti–O bond distances ranging from 2.01–2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Ti+2.50+ atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the second O2- site, O2- is bonded in a square co-planar geometry to four equivalent Ti+2.50+ atoms.},
doi = {10.17188/1187321},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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