U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-23384
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; I-Li-O; LiIO3; crystal structure
- OSTI Identifier:
- 1199470
- DOI:
- https://doi.org/10.17188/1199470
Citation Formats
Materials Data on LiIO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199470.
Materials Data on LiIO3 by Materials Project. United States. doi:https://doi.org/10.17188/1199470
2020.
"Materials Data on LiIO3 by Materials Project". United States. doi:https://doi.org/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},
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}
}