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Title: Materials Data on Al2O3 by Materials Project

Abstract

Al2O3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Al3+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing AlO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.78–2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a T-shaped geometry to three equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a see-saw-like geometry to four equivalent Al3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1182923
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:
1705986
DOI:
https://doi.org/10.17188/1705986

Citation Formats

The Materials Project. Materials Data on Al2O3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1705986.
The Materials Project. Materials Data on Al2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1705986
The Materials Project. 2019. "Materials Data on Al2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1705986. https://www.osti.gov/servlets/purl/1705986. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1705986,
title = {Materials Data on Al2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Al2O3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Al3+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing AlO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.78–2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a T-shaped geometry to three equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a see-saw-like geometry to four equivalent Al3+ atoms.},
doi = {10.17188/1705986},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}