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Title: Materials Data on IrN7ClO6 by Materials Project

Abstract

IrN3O6Cl(N2)2 crystallizes in the tetragonal I4 space group. The structure is two-dimensional and consists of eight ammonia molecules and two IrN3O6Cl sheets oriented in the (0, 0, 1) direction. In each IrN3O6Cl sheet, Ir4+ is bonded in a distorted single-bond geometry to one N+1.29+ and one Cl1- atom. The Ir–N bond length is 1.72 Å. The Ir–Cl bond length is 2.63 Å. There are two inequivalent N+1.29+ sites. In the first N+1.29+ site, N+1.29+ is bonded in a single-bond geometry to one Ir4+ atom. In the second N+1.29+ site, N+1.29+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+1.29+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+1.29+ and one Cl1- atom. The O–Cl bond length is 3.32 Å. Cl1- is bonded in a distorted square pyramidal geometry to one Ir4+ and four equivalent O2- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1104768
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; IrN7ClO6; Cl-Ir-N-O
OSTI Identifier:
1682162
DOI:
https://doi.org/10.17188/1682162

Citation Formats

The Materials Project. Materials Data on IrN7ClO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682162.
The Materials Project. Materials Data on IrN7ClO6 by Materials Project. United States. doi:https://doi.org/10.17188/1682162
The Materials Project. 2020. "Materials Data on IrN7ClO6 by Materials Project". United States. doi:https://doi.org/10.17188/1682162. https://www.osti.gov/servlets/purl/1682162. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1682162,
title = {Materials Data on IrN7ClO6 by Materials Project},
author = {The Materials Project},
abstractNote = {IrN3O6Cl(N2)2 crystallizes in the tetragonal I4 space group. The structure is two-dimensional and consists of eight ammonia molecules and two IrN3O6Cl sheets oriented in the (0, 0, 1) direction. In each IrN3O6Cl sheet, Ir4+ is bonded in a distorted single-bond geometry to one N+1.29+ and one Cl1- atom. The Ir–N bond length is 1.72 Å. The Ir–Cl bond length is 2.63 Å. There are two inequivalent N+1.29+ sites. In the first N+1.29+ site, N+1.29+ is bonded in a single-bond geometry to one Ir4+ atom. In the second N+1.29+ site, N+1.29+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+1.29+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+1.29+ and one Cl1- atom. The O–Cl bond length is 3.32 Å. Cl1- is bonded in a distorted square pyramidal geometry to one Ir4+ and four equivalent O2- atoms.},
doi = {10.17188/1682162},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}