U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiAlO3 by Materials Project
Abstract
AlTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with nine equivalent AlO6 octahedra, edges with three equivalent TiO6 octahedra, and a faceface with one AlO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There are three shorter (2.02 Å) and three longer (2.12 Å) Ti–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with nine equivalent TiO6 octahedra, edges with three equivalent AlO6 octahedra, and a faceface with one TiO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There is three shorter (1.87 Å) and three longer (2.00 Å) Al–O bond length. O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti3+ and two equivalent Al3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-774520
- 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; TiAlO3; Al-O-Ti
- OSTI Identifier:
- 1302614
- DOI:
- https://doi.org/10.17188/1302614
Citation Formats
The Materials Project. Materials Data on TiAlO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1302614.
The Materials Project. Materials Data on TiAlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1302614
The Materials Project. 2020.
"Materials Data on TiAlO3 by Materials Project". United States. doi:https://doi.org/10.17188/1302614. https://www.osti.gov/servlets/purl/1302614. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1302614,
title = {Materials Data on TiAlO3 by Materials Project},
author = {The Materials Project},
abstractNote = {AlTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with nine equivalent AlO6 octahedra, edges with three equivalent TiO6 octahedra, and a faceface with one AlO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There are three shorter (2.02 Å) and three longer (2.12 Å) Ti–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with nine equivalent TiO6 octahedra, edges with three equivalent AlO6 octahedra, and a faceface with one TiO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There is three shorter (1.87 Å) and three longer (2.00 Å) Al–O bond length. O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti3+ and two equivalent Al3+ atoms.},
doi = {10.17188/1302614},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}