U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ti3Al2(SiO4)3 by Materials Project
Abstract
Ti3Al2(SiO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ti2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.27 Å) and four longer (2.38 Å) Ti–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.92 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ti2+, one Al3+, and one Si4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-4030
- 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; Ti3Al2(SiO4)3; Al-O-Si-Ti
- OSTI Identifier:
- 1320842
- DOI:
- https://doi.org/10.17188/1320842
Citation Formats
The Materials Project. Materials Data on Ti3Al2(SiO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320842.
The Materials Project. Materials Data on Ti3Al2(SiO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1320842
The Materials Project. 2020.
"Materials Data on Ti3Al2(SiO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1320842. https://www.osti.gov/servlets/purl/1320842. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1320842,
title = {Materials Data on Ti3Al2(SiO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti3Al2(SiO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ti2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.27 Å) and four longer (2.38 Å) Ti–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.92 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ti2+, one Al3+, and one Si4+ atom.},
doi = {10.17188/1320842},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.