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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on RhN3Cl6O by Materials Project

RhOCl2(NCl)2NCl2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight chloramine molecules, four dichloramine molecules, and four RhOCl2 clusters. In each RhOCl2 cluster, Rh3+ is bonded in a trigonal planar geometry to one O2- and two equivalent Cl1- atoms. The Rh–O bond length is 1.69 Å. Both Rh–Cl bond lengths are 2.19 Å. O2- is bonded in a single-bond geometry to one Rh3+ atom. Cl1- is bonded in a single-bond geometry to one Rh3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RhN3Cl6O by Materials Project

Rh(NCl3)2NO is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four Rh(NCl3)2 clusters. In each Rh(NCl3)2 cluster, Rh3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Rh–Cl bond distances ranging from 2.30–2.62 Å. There are two inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.56 Å. In the second N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.60 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Rh3+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to one Rh3+ and one N+1.67+ atom. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Rh3+ and one N+1.67+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom.

36 MATERIALS SCIENCE↗