U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al2SiO5 by Materials Project
Abstract
Al2SiO5 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Al2SiO5 ribbon oriented in the (1, 0, 0) direction. there are four inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Al–O bond distances ranging from 1.74–1.89 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form distorted corner-sharing AlO4 trigonal pyramids. There are a spread of Al–O bond distances ranging from 1.69–1.98 Å. In the third Al3+ site, Al3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Al–O bond distances ranging from 1.76–1.87 Å. In the fourth Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with two equivalent SiO4 tetrahedra and a cornercorner with one AlO4 trigonal pyramid. There are a spread of Al–O bond distances ranging from 1.70–1.91 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra. There are a spread of Si–Omore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1183015
- 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; Al2SiO5; Al-O-Si
- OSTI Identifier:
- 1698415
- DOI:
- https://doi.org/10.17188/1698415
Citation Formats
The Materials Project. Materials Data on Al2SiO5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1698415.
The Materials Project. Materials Data on Al2SiO5 by Materials Project. United States. doi:https://doi.org/10.17188/1698415
The Materials Project. 2019.
"Materials Data on Al2SiO5 by Materials Project". United States. doi:https://doi.org/10.17188/1698415. https://www.osti.gov/servlets/purl/1698415. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1698415,
title = {Materials Data on Al2SiO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Al2SiO5 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Al2SiO5 ribbon oriented in the (1, 0, 0) direction. there are four inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Al–O bond distances ranging from 1.74–1.89 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form distorted corner-sharing AlO4 trigonal pyramids. There are a spread of Al–O bond distances ranging from 1.69–1.98 Å. In the third Al3+ site, Al3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Al–O bond distances ranging from 1.76–1.87 Å. In the fourth Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with two equivalent SiO4 tetrahedra and a cornercorner with one AlO4 trigonal pyramid. There are a spread of Al–O bond distances ranging from 1.70–1.91 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.59–1.72 Å. In the second Si4+ site, Si4+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.63 Å) and one longer (1.74 Å) Si–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a T-shaped geometry to three Al3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Al3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Al3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Al3+ atom. In the fifth O2- site, O2- is bonded in a distorted T-shaped geometry to two Al3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Al3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Al3+ atoms. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to one Al3+ and one Si4+ atom. In the tenth O2- site, O2- is bonded in a T-shaped geometry to three Al3+ atoms.},
doi = {10.17188/1698415},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}