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Title: Materials Data on LiIO3 by Materials Project

Abstract

LiIO3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent IO6 octahedra, edges with three equivalent IO6 octahedra, and faces with two equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–O bond lengths are 2.10 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.13 Å. I5+ is bonded to six equivalent O2- atoms to form IO6 octahedra that share corners with six equivalent LiO6 octahedra, corners with six equivalent IO6 octahedra, and edges with three equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°.

Publication Date:
Other Number(s):
mp-545343
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:
1266989
DOI:
https://doi.org/10.17188/1266989

Citation Formats

The Materials Project. Materials Data on LiIO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266989.
The Materials Project. Materials Data on LiIO3 by Materials Project. United States. doi:https://doi.org/10.17188/1266989
The Materials Project. 2020. "Materials Data on LiIO3 by Materials Project". United States. doi:https://doi.org/10.17188/1266989. https://www.osti.gov/servlets/purl/1266989. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1266989,
title = {Materials Data on LiIO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiIO3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent IO6 octahedra, edges with three equivalent IO6 octahedra, and faces with two equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–O bond lengths are 2.10 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.13 Å. I5+ is bonded to six equivalent O2- atoms to form IO6 octahedra that share corners with six equivalent LiO6 octahedra, corners with six equivalent IO6 octahedra, and edges with three equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°.},
doi = {10.17188/1266989},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}