U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al(SiO3)2 by Materials Project
Abstract
Al(SiO3)2 is Low Tridymite-derived structured and crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.76 Å) Al–O bond length. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra and corners with two equivalent SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199589
- 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; Al(SiO3)2; Al-O-Si
- OSTI Identifier:
- 1739769
- DOI:
- https://doi.org/10.17188/1739769
Citation Formats
The Materials Project. Materials Data on Al(SiO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1739769.
The Materials Project. Materials Data on Al(SiO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1739769
The Materials Project. 2020.
"Materials Data on Al(SiO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1739769. https://www.osti.gov/servlets/purl/1739769. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1739769,
title = {Materials Data on Al(SiO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Al(SiO3)2 is Low Tridymite-derived structured and crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.76 Å) Al–O bond length. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra and corners with two equivalent SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms.},
doi = {10.17188/1739769},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}