Materials Data on IrN4Cl3O by Materials Project
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.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1677022
- Report Number(s):
- mp-1203882
- Country of Publication:
- United States
- Language:
- English
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