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Title: Materials Data on IN2O4F5 by Materials Project

Abstract

NONO3IF5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitric acid molecules, two nitroxyl molecules, and two IF5 clusters. In each IF5 cluster, I5+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of I–F bond distances ranging from 1.86–1.95 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-559119
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; IN2O4F5; F-I-N-O
OSTI Identifier:
1270682
DOI:
10.17188/1270682

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on IN2O4F5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270682.
Persson, Kristin, & Project, Materials. Materials Data on IN2O4F5 by Materials Project. United States. doi:10.17188/1270682.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on IN2O4F5 by Materials Project". United States. doi:10.17188/1270682. https://www.osti.gov/servlets/purl/1270682. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1270682,
title = {Materials Data on IN2O4F5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NONO3IF5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitric acid molecules, two nitroxyl molecules, and two IF5 clusters. In each IF5 cluster, I5+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of I–F bond distances ranging from 1.86–1.95 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom.},
doi = {10.17188/1270682},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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