Materials Data on Mo(NO2)2 by Materials Project

Abstract

MoO4N2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four MoO4N2 clusters. Mo6+ is bonded in a distorted trigonal pyramidal geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.11 Å. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted single-bond geometry to one O2- atom. The N–O bond length is 1.31 Å. In the second N1+ site, N1+ is bonded in a distorted single-bond geometry to one O2- atom. The N–O bond length is 1.36 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mo6+ and one N1+ 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. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mo6+ and one N1+ atom.