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Title: Materials Data on LiIO4 by Materials Project

Abstract

LiO4I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li is bonded to five O atoms to form LiO5 trigonal bipyramids that share corners with five equivalent IO4 tetrahedra and an edgeedge with one LiO5 trigonal bipyramid. There are a spread of Li–O bond distances ranging from 2.05–2.16 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Li and one I atom. The O–I bond length is 1.81 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Li and one I atom. The O–I bond length is 1.79 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Li and one I atom. The O–I bond length is 1.79 Å. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Li and one I atom. The O–I bond length is 1.79 Å. I is bonded to four O atoms to form IO4 tetrahedra that share corners with five equivalent LiO5 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-29473
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; LiIO4; I-Li-O
OSTI Identifier:
1203953
DOI:
https://doi.org/10.17188/1203953

Citation Formats

The Materials Project. Materials Data on LiIO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203953.
The Materials Project. Materials Data on LiIO4 by Materials Project. United States. doi:https://doi.org/10.17188/1203953
The Materials Project. 2020. "Materials Data on LiIO4 by Materials Project". United States. doi:https://doi.org/10.17188/1203953. https://www.osti.gov/servlets/purl/1203953. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1203953,
title = {Materials Data on LiIO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiO4I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li is bonded to five O atoms to form LiO5 trigonal bipyramids that share corners with five equivalent IO4 tetrahedra and an edgeedge with one LiO5 trigonal bipyramid. There are a spread of Li–O bond distances ranging from 2.05–2.16 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Li and one I atom. The O–I bond length is 1.81 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Li and one I atom. The O–I bond length is 1.79 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Li and one I atom. The O–I bond length is 1.79 Å. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Li and one I atom. The O–I bond length is 1.79 Å. I is bonded to four O atoms to form IO4 tetrahedra that share corners with five equivalent LiO5 trigonal bipyramids.},
doi = {10.17188/1203953},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}