U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al4Fe(SiO6)2 by Materials Project
Abstract
FeAl4(SiO6)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Fe is bonded to four O atoms to form FeO4 tetrahedra that share corners with ten AlO6 octahedra. The corner-sharing octahedra tilt angles range from 53–61°. There is two shorter (1.87 Å) and two longer (1.99 Å) Fe–O bond length. There are two inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with two equivalent FeO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and edges with four AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.90–1.93 Å. In the second Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with three equivalent FeO4 tetrahedra, corners with three equivalent SiO4 tetrahedra, and edges with three AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.82–1.98 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with seven AlO6 octahedra. The corner-sharing octahedra tilt angles range from 43–54°. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. There are five inequivalent O sites. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1197460
- 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; Al4Fe(SiO6)2; Al-Fe-O-Si
- OSTI Identifier:
- 1726842
- DOI:
- https://doi.org/10.17188/1726842
Citation Formats
The Materials Project. Materials Data on Al4Fe(SiO6)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1726842.
The Materials Project. Materials Data on Al4Fe(SiO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1726842
The Materials Project. 2020.
"Materials Data on Al4Fe(SiO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1726842. https://www.osti.gov/servlets/purl/1726842. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1726842,
title = {Materials Data on Al4Fe(SiO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {FeAl4(SiO6)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Fe is bonded to four O atoms to form FeO4 tetrahedra that share corners with ten AlO6 octahedra. The corner-sharing octahedra tilt angles range from 53–61°. There is two shorter (1.87 Å) and two longer (1.99 Å) Fe–O bond length. There are two inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with two equivalent FeO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and edges with four AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.90–1.93 Å. In the second Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with three equivalent FeO4 tetrahedra, corners with three equivalent SiO4 tetrahedra, and edges with three AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.82–1.98 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with seven AlO6 octahedra. The corner-sharing octahedra tilt angles range from 43–54°. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two 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 distorted trigonal planar geometry to two equivalent Al and one Si atom. In the fourth O site, O is bonded to one Fe and three Al atoms to form distorted corner-sharing OAl3Fe trigonal pyramids. In the fifth O site, O is bonded in a trigonal planar geometry to one Fe and two equivalent Al atoms.},
doi = {10.17188/1726842},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}