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Title: Materials Data on LiZnIO4 by Materials Project

Abstract

LiZnO4I crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Li1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.06–2.17 Å. Zn2+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.05 Å) Zn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Zn2+, and one I5+ atom to form corner-sharing OLiZn2I tetrahedra. The O–I bond length is 2.02 Å. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Zn2+, and one I5+ atom. The O–I bond length is 2.20 Å. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and two equivalent I5+ atoms. There are one shorter (1.83 Å) and one longer (2.74 Å) O–I bond lengths. I5+ is bonded in a 6-coordinate geometry to six O2- atoms.

Publication Date:
Other Number(s):
mp-1104352
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; LiZnIO4; I-Li-O-Zn
OSTI Identifier:
1677222
DOI:
https://doi.org/10.17188/1677222

Citation Formats

The Materials Project. Materials Data on LiZnIO4 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1677222.
The Materials Project. Materials Data on LiZnIO4 by Materials Project. United States. doi:https://doi.org/10.17188/1677222
The Materials Project. 2018. "Materials Data on LiZnIO4 by Materials Project". United States. doi:https://doi.org/10.17188/1677222. https://www.osti.gov/servlets/purl/1677222. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1677222,
title = {Materials Data on LiZnIO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiZnO4I crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Li1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.06–2.17 Å. Zn2+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.05 Å) Zn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Zn2+, and one I5+ atom to form corner-sharing OLiZn2I tetrahedra. The O–I bond length is 2.02 Å. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Zn2+, and one I5+ atom. The O–I bond length is 2.20 Å. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and two equivalent I5+ atoms. There are one shorter (1.83 Å) and one longer (2.74 Å) O–I bond lengths. I5+ is bonded in a 6-coordinate geometry to six O2- atoms.},
doi = {10.17188/1677222},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}