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Title: Materials Data on Ir(N3O4)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1707045· OSTI ID:1707045

(Ir(NO2)6)2(N2)3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of twelve ammonia molecules and four Ir(NO2)6 clusters. In each Ir(NO2)6 cluster, Ir3+ is bonded in a cuboctahedral geometry to twelve equivalent O2- atoms. All Ir–O bond lengths are 2.26 Å. N+2.33+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All N–O bond lengths are 1.95 Å. O2- is bonded in a 3-coordinate geometry to one Ir3+ and two equivalent N+2.33+ atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1707045
Report Number(s):
mp-1191949
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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