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Title: Materials Data on LiIO3 by Materials Project

Abstract

LiIO3 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Li1+ and one I5+ atom. The O–I bond length is 1.83 Å. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one I5+ atom. The O–I bond length is 1.83 Å. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Li1+ and one I5+ atom. The O–I bond length is 1.83 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-23384
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; LiIO3; I-Li-O
OSTI Identifier:
1199470
DOI:
10.17188/1199470

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LiIO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199470.
Persson, Kristin, & Project, Materials. Materials Data on LiIO3 by Materials Project. United States. doi:10.17188/1199470.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LiIO3 by Materials Project". United States. doi:10.17188/1199470. https://www.osti.gov/servlets/purl/1199470. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1199470,
title = {Materials Data on LiIO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LiIO3 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Li1+ and one I5+ atom. The O–I bond length is 1.83 Å. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one I5+ atom. The O–I bond length is 1.83 Å. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Li1+ and one I5+ atom. The O–I bond length is 1.83 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.},
doi = {10.17188/1199470},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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