Materials Data on RhWN5ClO4 by Materials Project

Abstract

WRhN5O4Cl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four WRhN5O4Cl ribbons oriented in the (1, 0, 0) direction. W6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.76–2.18 Å. Rh4+ is bonded in a 5-coordinate geometry to five N+0.20- atoms. There are a spread of Rh–N bond distances ranging from 1.69–2.09 Å. There are three inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a bent 150 degrees geometry to one Rh4+ and one Cl1- atom. The N–Cl bond length is 1.53 Å. In the second N+0.20- site, N+0.20- is bonded in a distorted single-bond geometry to one Rh4+ atom. In the third N+0.20- site, N+0.20- is bonded in a distorted L-shaped geometry to one Rh4+ and one O2- atom. The N–O bond length is 1.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one W6+ and two equivalent N+0.20- atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent N+0.20- atoms.