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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ru(N3Cl)2 by Materials Project

Ru(N3Cl)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ru4+ is bonded to six equivalent N+0.33- atoms to form RuN6 octahedra that share faces with eight equivalent ClN12 cuboctahedra. All Ru–N bond lengths are 1.95 Å. N+0.33- is bonded in a single-bond geometry to one Ru4+ and four equivalent Cl1- atoms. All N–Cl bond lengths are 2.85 Å. Cl1- is bonded to twelve equivalent N+0.33- atoms to form ClN12 cuboctahedra that share corners with twelve equivalent ClN12 cuboctahedra, faces with six equivalent ClN12 cuboctahedra, and faces with four equivalent RuN6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RuN5Cl3 by Materials Project

RuN4ClNCl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four dichloramine molecules and four RuN4Cl ribbons oriented in the (1, 0, 0) direction. In each RuN4Cl ribbon, Ru4+ is bonded in a tetrahedral geometry to four N+0.20- atoms. There are a spread of Ru–N bond distances ranging from 1.69–1.97 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 Ru4+ atom. In the second N+0.20- site, N+0.20- is bonded in a single-bond geometry to one Ru4+ atom. In the third N+0.20- site, N+0.20- is bonded in a distorted bent 120 degrees geometry to one Ru4+ and one Cl1- atom. The N–Cl bond length is 1.58 Å. Cl1- is bonded in a bent 120 degrees geometry to two equivalent N+0.20- atoms.

36 MATERIALS SCIENCE↗