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Title: Materials Data on Al(SiO3)2 by Materials Project

Abstract

Al(SiO3)2 is Low Tridymite-derived structured and crystallizes in the tetragonal P4_32_12 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 (1.74 Å) and two longer (1.75 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 are a spread of Si–O bond distances ranging from 1.62–1.64 Å. 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 linear 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.

Publication Date:
Other Number(s):
mp-1229099
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; Al(SiO3)2; Al-O-Si
OSTI Identifier:
1678054
DOI:
https://doi.org/10.17188/1678054

Citation Formats

The Materials Project. Materials Data on Al(SiO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678054.
The Materials Project. Materials Data on Al(SiO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1678054
The Materials Project. 2020. "Materials Data on Al(SiO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1678054. https://www.osti.gov/servlets/purl/1678054. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1678054,
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 P4_32_12 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 (1.74 Å) and two longer (1.75 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 are a spread of Si–O bond distances ranging from 1.62–1.64 Å. 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 linear 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 = {10.17188/1678054},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}