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Title: Materials Data on LiIO3 by Materials Project

Abstract

LiIO3 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two LiIO3 ribbons oriented in the (0, 0, 1) direction. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.09 Å) and two longer (2.39 Å) Li–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.12 Å. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one I5+ atom. The O–I bond length is 1.84 Å. I5+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1180548
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; LiIO3; I-Li-O
OSTI Identifier:
1698455
DOI:
https://doi.org/10.17188/1698455

Citation Formats

The Materials Project. Materials Data on LiIO3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1698455.
The Materials Project. Materials Data on LiIO3 by Materials Project. United States. doi:https://doi.org/10.17188/1698455
The Materials Project. 2019. "Materials Data on LiIO3 by Materials Project". United States. doi:https://doi.org/10.17188/1698455. https://www.osti.gov/servlets/purl/1698455. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1698455,
title = {Materials Data on LiIO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiIO3 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two LiIO3 ribbons oriented in the (0, 0, 1) direction. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.09 Å) and two longer (2.39 Å) Li–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.12 Å. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one I5+ atom. The O–I bond length is 1.84 Å. I5+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms.},
doi = {10.17188/1698455},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}