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DOE OSTI · 1677915

Materials Data on IrN5Cl3 by Materials Project

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Abstract

IrN4ClNCl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four dichloramine molecules and four IrN4Cl ribbons oriented in the (1, 0, 0) direction. In each IrN4Cl ribbon, Ir4+ is bonded in a tetrahedral geometry to four N+0.20- atoms. There are a spread of Ir–N bond distances ranging from 1.74–1.86 Å. There are three inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a single-bond geometry to one Ir4+ atom. In the second N+0.20- site, N+0.20- is bonded in a single-bond geometry to one Ir4+ atom. In the third N+0.20- site, N+0.20- is bonded in a distorted bent 150 degrees geometry to one Ir4+ and one Cl1- atom. The N–Cl bond length is 1.74 Å. Cl1- is bonded in a distorted linear geometry to two equivalent N+0.20- atoms.

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36 MATERIALS SCIENCECl-Ir-Ncrystal structureIrN5Cl3

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2020-04-30. Materials Data on IrN5Cl3 by Materials Project. https://doi.org/10.17188/1677915

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