Materials Data on MoRhN5ClO4 by Materials Project

Abstract

MoRhN5O4Cl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four MoRhN5O4Cl ribbons oriented in the (1, 0, 0) direction. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–1.95 Å. Rh4+ is bonded in a distorted square pyramidal geometry to five N+0.20- atoms. There are a spread of Rh–N bond distances ranging from 1.73–2.32 Å. There are three inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a distorted water-like 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 O2- atoms. Both N–O bond lengths are 1.36 Å. In the third N+0.20- site, N+0.20- is bonded in a single-bond geometry to one Rh4+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Mo6+ and one N+0.20- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. Cl1- is bonded in a distorted bent 120 degrees geometry to two equivalent N+0.20- atoms.