DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Al2Si2O11 by Materials Project

Abstract

(AlO3)2Si2O5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one AlO3 sheet oriented in the (0, 0, 1) direction and one Si2O5 sheet oriented in the (0, 0, 1) direction. In the AlO3 sheet, Al is bonded to six O atoms to form distorted edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.86–1.89 Å. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the second O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the third O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the fourth O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the Si2O5 sheet, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the second O site, O is bondedmore » in a bent 150 degrees geometry to two equivalent Si atoms. In the third O site, O is bonded in a single-bond geometry to one Si atom.« less

Publication Date:
Other Number(s):
mp-1103571
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Al2Si2O11; Al-O-Si
OSTI Identifier:
1655661
DOI:
https://doi.org/10.17188/1655661

Citation Formats

The Materials Project. Materials Data on Al2Si2O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655661.
The Materials Project. Materials Data on Al2Si2O11 by Materials Project. United States. doi:https://doi.org/10.17188/1655661
The Materials Project. 2020. "Materials Data on Al2Si2O11 by Materials Project". United States. doi:https://doi.org/10.17188/1655661. https://www.osti.gov/servlets/purl/1655661. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1655661,
title = {Materials Data on Al2Si2O11 by Materials Project},
author = {The Materials Project},
abstractNote = {(AlO3)2Si2O5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one AlO3 sheet oriented in the (0, 0, 1) direction and one Si2O5 sheet oriented in the (0, 0, 1) direction. In the AlO3 sheet, Al is bonded to six O atoms to form distorted edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.86–1.89 Å. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the second O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the third O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the fourth O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the Si2O5 sheet, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Si 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 single-bond geometry to one Si atom.},
doi = {10.17188/1655661},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}