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Title: Materials Data on HIO3 by Materials Project

Abstract

HIO3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two HIO3 ribbons oriented in the (0, 1, 0) direction. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.71 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one H1+ and two equivalent I5+ atoms. There are one shorter (1.85 Å) and one longer (2.48 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one I5+ atom. The O–I bond length is 1.93 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.81 Å. I5+ is bonded in a 5-coordinate geometry to four O2- atoms.

Publication Date:
Other Number(s):
mp-23963
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; HIO3; H-I-O
OSTI Identifier:
1199835
DOI:
https://doi.org/10.17188/1199835

Citation Formats

The Materials Project. Materials Data on HIO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199835.
The Materials Project. Materials Data on HIO3 by Materials Project. United States. doi:https://doi.org/10.17188/1199835
The Materials Project. 2020. "Materials Data on HIO3 by Materials Project". United States. doi:https://doi.org/10.17188/1199835. https://www.osti.gov/servlets/purl/1199835. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199835,
title = {Materials Data on HIO3 by Materials Project},
author = {The Materials Project},
abstractNote = {HIO3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two HIO3 ribbons oriented in the (0, 1, 0) direction. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.71 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one H1+ and two equivalent I5+ atoms. There are one shorter (1.85 Å) and one longer (2.48 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one I5+ atom. The O–I bond length is 1.93 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.81 Å. I5+ is bonded in a 5-coordinate geometry to four O2- atoms.},
doi = {10.17188/1199835},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}