U.S. Department of EnergyOffice of Scientific and Technical Information
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 = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}
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