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Title: Materials Data on IrN4Cl3O by Materials Project

Abstract

IrN3OClNCl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four dichloramine molecules and four IrN3OCl ribbons oriented in the (1, 0, 0) direction. In each IrN3OCl ribbon, Ir3+ is bonded in a tetrahedral geometry to three N+0.50+ and one O2- atom. There is one shorter (1.72 Å) and two longer (1.81 Å) Ir–N bond length. The Ir–O bond length is 1.80 Å. There are two inequivalent N+0.50+ sites. In the first N+0.50+ site, N+0.50+ is bonded in a single-bond geometry to one Ir3+ atom. In the second N+0.50+ site, N+0.50+ is bonded in a bent 150 degrees geometry to one Ir3+ and one Cl1- atom. The N–Cl bond length is 1.86 Å. O2- is bonded in a single-bond geometry to one Ir3+ atom. Cl1- is bonded in a linear geometry to two equivalent N+0.50+ atoms.

Publication Date:
Other Number(s):
mp-1203882
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; IrN4Cl3O; Cl-Ir-N-O
OSTI Identifier:
1677022
DOI:
https://doi.org/10.17188/1677022

Citation Formats

The Materials Project. Materials Data on IrN4Cl3O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677022.
The Materials Project. Materials Data on IrN4Cl3O by Materials Project. United States. doi:https://doi.org/10.17188/1677022
The Materials Project. 2020. "Materials Data on IrN4Cl3O by Materials Project". United States. doi:https://doi.org/10.17188/1677022. https://www.osti.gov/servlets/purl/1677022. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1677022,
title = {Materials Data on IrN4Cl3O by Materials Project},
author = {The Materials Project},
abstractNote = {IrN3OClNCl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four dichloramine molecules and four IrN3OCl ribbons oriented in the (1, 0, 0) direction. In each IrN3OCl ribbon, Ir3+ is bonded in a tetrahedral geometry to three N+0.50+ and one O2- atom. There is one shorter (1.72 Å) and two longer (1.81 Å) Ir–N bond length. The Ir–O bond length is 1.80 Å. There are two inequivalent N+0.50+ sites. In the first N+0.50+ site, N+0.50+ is bonded in a single-bond geometry to one Ir3+ atom. In the second N+0.50+ site, N+0.50+ is bonded in a bent 150 degrees geometry to one Ir3+ and one Cl1- atom. The N–Cl bond length is 1.86 Å. O2- is bonded in a single-bond geometry to one Ir3+ atom. Cl1- is bonded in a linear geometry to two equivalent N+0.50+ atoms.},
doi = {10.17188/1677022},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}