Materials Data on RhN5Cl3 by Materials Project

Abstract

RhN5Cl3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two RhN5Cl3 ribbons oriented in the (1, 0, 0) direction. Rh4+ is bonded in a distorted trigonal bipyramidal geometry to five N+0.20- atoms. There are a spread of Rh–N bond distances ranging from 1.75–2.16 Å. There are four inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a distorted bent 120 degrees geometry to one Rh4+ and one Cl1- atom. The N–Cl bond length is 1.52 Å. In the second N+0.20- site, N+0.20- is bonded in a distorted trigonal non-coplanar geometry to one Rh4+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 1.74 Å. In the third N+0.20- site, N+0.20- is bonded in a single-bond geometry to one Rh4+ atom. In the fourth N+0.20- site, N+0.20- is bonded in a distorted single-bond geometry to one Rh4+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 2.53 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent N+0.20- atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two N+0.20- atoms.