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Title: Materials Data on Al2O3 by Materials Project

Abstract

Al2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form a mixture of face, edge, and corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 51–71°. There are a spread of Al–O bond distances ranging from 1.87–2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl4 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1938
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; Al2O3; Al-O
OSTI Identifier:
1194387
DOI:
https://doi.org/10.17188/1194387

Citation Formats

The Materials Project. Materials Data on Al2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1194387.
The Materials Project. Materials Data on Al2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1194387
The Materials Project. 2020. "Materials Data on Al2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1194387. https://www.osti.gov/servlets/purl/1194387. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1194387,
title = {Materials Data on Al2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Al2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form a mixture of face, edge, and corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 51–71°. There are a spread of Al–O bond distances ranging from 1.87–2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl4 trigonal pyramids.},
doi = {10.17188/1194387},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}