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Title: Materials Data on INO3 by Materials Project

Abstract

IONO2 crystallizes in the orthorhombic Pna2_1 space group. The structure is one-dimensional and consists of four nitroxyl molecules and two O2I ribbons oriented in the (0, 0, 1) direction. In each O2I ribbon, there are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.85 Å. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent I5+ atoms. There are one shorter (1.90 Å) and one longer (2.32 Å) O–I bond lengths. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.

Publication Date:
Other Number(s):
mp-1181075
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; INO3; I-N-O
OSTI Identifier:
1740488
DOI:
https://doi.org/10.17188/1740488

Citation Formats

The Materials Project. Materials Data on INO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740488.
The Materials Project. Materials Data on INO3 by Materials Project. United States. doi:https://doi.org/10.17188/1740488
The Materials Project. 2020. "Materials Data on INO3 by Materials Project". United States. doi:https://doi.org/10.17188/1740488. https://www.osti.gov/servlets/purl/1740488. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740488,
title = {Materials Data on INO3 by Materials Project},
author = {The Materials Project},
abstractNote = {IONO2 crystallizes in the orthorhombic Pna2_1 space group. The structure is one-dimensional and consists of four nitroxyl molecules and two O2I ribbons oriented in the (0, 0, 1) direction. In each O2I ribbon, there are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.85 Å. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent I5+ atoms. There are one shorter (1.90 Å) and one longer (2.32 Å) O–I bond lengths. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.},
doi = {10.17188/1740488},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}