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Title: Materials Data on Al(IO3)3 by Materials Project

Abstract

Al(IO3)3 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Al3+ is bonded in an octahedral geometry to six O2- atoms. There is three shorter (1.92 Å) and three longer (1.93 Å) Al–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Al3+ and one I5+ atom. The O–I bond length is 1.88 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Al3+ and one I5+ atom. The O–I bond length is 1.85 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.80 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-555903
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(IO3)3; Al-I-O
OSTI Identifier:
1269052
DOI:
10.17188/1269052

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Al(IO3)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269052.
Persson, Kristin, & Project, Materials. Materials Data on Al(IO3)3 by Materials Project. United States. doi:10.17188/1269052.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Al(IO3)3 by Materials Project". United States. doi:10.17188/1269052. https://www.osti.gov/servlets/purl/1269052. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1269052,
title = {Materials Data on Al(IO3)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Al(IO3)3 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Al3+ is bonded in an octahedral geometry to six O2- atoms. There is three shorter (1.92 Å) and three longer (1.93 Å) Al–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Al3+ and one I5+ atom. The O–I bond length is 1.88 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Al3+ and one I5+ atom. The O–I bond length is 1.85 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.80 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.},
doi = {10.17188/1269052},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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