U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al2FeSiO5 by Materials Project
Abstract
FeAl2SiO5 crystallizes in the orthorhombic Ccce space group. The structure is three-dimensional. Fe is bonded in a single-bond geometry to one O atom. The Fe–O bond length is 1.91 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Al–O bond distances ranging from 1.82–2.34 Å. In the second Al site, Al is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Al–O bond distances ranging from 1.69–1.87 Å. Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.64 Å) Si–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Fe and two equivalent Al atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the third O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the fourth O site, O is bonded in a 2-coordinate geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1215154
- 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; Al2FeSiO5; Al-Fe-O-Si
- OSTI Identifier:
- 1681336
- DOI:
- https://doi.org/10.17188/1681336
Citation Formats
The Materials Project. Materials Data on Al2FeSiO5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1681336.
The Materials Project. Materials Data on Al2FeSiO5 by Materials Project. United States. doi:https://doi.org/10.17188/1681336
The Materials Project. 2019.
"Materials Data on Al2FeSiO5 by Materials Project". United States. doi:https://doi.org/10.17188/1681336. https://www.osti.gov/servlets/purl/1681336. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1681336,
title = {Materials Data on Al2FeSiO5 by Materials Project},
author = {The Materials Project},
abstractNote = {FeAl2SiO5 crystallizes in the orthorhombic Ccce space group. The structure is three-dimensional. Fe is bonded in a single-bond geometry to one O atom. The Fe–O bond length is 1.91 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Al–O bond distances ranging from 1.82–2.34 Å. In the second Al site, Al is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Al–O bond distances ranging from 1.69–1.87 Å. Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.64 Å) Si–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Fe and two equivalent Al atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the third O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the fourth O site, O is bonded in a 2-coordinate geometry to two equivalent Al and one Si atom. In the fifth O site, O is bonded in a 3-coordinate geometry to three equivalent Al atoms.},
doi = {10.17188/1681336},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}