Materials Data on Ti2AlO4 by Materials Project
Abstract
Ti2AlO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ti+2.50+ sites. In the first Ti+2.50+ site, Ti+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.96 Å) and two longer (2.04 Å) Ti–O bond lengths. In the second Ti+2.50+ site, Ti+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.96 Å) and two longer (2.04 Å) Ti–O bond lengths. Al3+ is bonded in a square co-planar geometry to four O2- atoms. All Al–O bond lengths are 1.85 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Ti+2.50+ and one Al3+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Ti+2.50+ and one Al3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-4454
- 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; Ti2AlO4; Al-O-Ti
- OSTI Identifier:
- 1321016
- DOI:
- https://doi.org/10.17188/1321016
Citation Formats
The Materials Project. Materials Data on Ti2AlO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1321016.
The Materials Project. Materials Data on Ti2AlO4 by Materials Project. United States. doi:https://doi.org/10.17188/1321016
The Materials Project. 2020.
"Materials Data on Ti2AlO4 by Materials Project". United States. doi:https://doi.org/10.17188/1321016. https://www.osti.gov/servlets/purl/1321016. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1321016,
title = {Materials Data on Ti2AlO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti2AlO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ti+2.50+ sites. In the first Ti+2.50+ site, Ti+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.96 Å) and two longer (2.04 Å) Ti–O bond lengths. In the second Ti+2.50+ site, Ti+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.96 Å) and two longer (2.04 Å) Ti–O bond lengths. Al3+ is bonded in a square co-planar geometry to four O2- atoms. All Al–O bond lengths are 1.85 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Ti+2.50+ and one Al3+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Ti+2.50+ and one Al3+ atom.},
doi = {10.17188/1321016},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}