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Title: Materials Data on NaIr(N2O3)4 by Materials Project

Abstract

IrNa(NO2)6N2 is Heusler structured and crystallizes in the cubic Fm-3 space group. The structure is zero-dimensional and consists of eight ammonia molecules, four iridium molecules, and four Na(NO2)6 clusters. In each Na(NO2)6 cluster, Na1+ is bonded in a cuboctahedral geometry to twelve equivalent O2- atoms. All Na–O bond lengths are 2.80 Å. N+2.50+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.24 Å. O2- is bonded in a distorted single-bond geometry to one Na1+ and one N+2.50+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1191718
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; NaIr(N2O3)4; Ir-N-Na-O
OSTI Identifier:
1708226
DOI:
https://doi.org/10.17188/1708226

Citation Formats

The Materials Project. Materials Data on NaIr(N2O3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708226.
The Materials Project. Materials Data on NaIr(N2O3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1708226
The Materials Project. 2020. "Materials Data on NaIr(N2O3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1708226. https://www.osti.gov/servlets/purl/1708226. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1708226,
title = {Materials Data on NaIr(N2O3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {IrNa(NO2)6N2 is Heusler structured and crystallizes in the cubic Fm-3 space group. The structure is zero-dimensional and consists of eight ammonia molecules, four iridium molecules, and four Na(NO2)6 clusters. In each Na(NO2)6 cluster, Na1+ is bonded in a cuboctahedral geometry to twelve equivalent O2- atoms. All Na–O bond lengths are 2.80 Å. N+2.50+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.24 Å. O2- is bonded in a distorted single-bond geometry to one Na1+ and one N+2.50+ atom.},
doi = {10.17188/1708226},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}