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Title: Materials Data on TiO2 by Materials Project

Abstract

TiO2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Ti–O bond lengths are 2.00 Å. O2- is bonded in a trigonal planar geometry to three equivalent Ti4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1102591
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TiO2; O-Ti
OSTI Identifier:
1732011
DOI:
https://doi.org/10.17188/1732011

Citation Formats

The Materials Project. Materials Data on TiO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732011.
The Materials Project. Materials Data on TiO2 by Materials Project. United States. doi:https://doi.org/10.17188/1732011
The Materials Project. 2020. "Materials Data on TiO2 by Materials Project". United States. doi:https://doi.org/10.17188/1732011. https://www.osti.gov/servlets/purl/1732011. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1732011,
title = {Materials Data on TiO2 by Materials Project},
author = {The Materials Project},
abstractNote = {TiO2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Ti–O bond lengths are 2.00 Å. O2- is bonded in a trigonal planar geometry to three equivalent Ti4+ atoms.},
doi = {10.17188/1732011},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Works referenced in this record:

Structural and photocatalytic degradation characteristics of hydrothermally treated mesoporous TiO2
journal, November 2008


Adipic ester hydrogenation catalyzed by platinum supported in alumina, titania and pillared clays
journal, December 2008