Materials Data on Se2N2O5 by Materials Project

NONSe2O4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four NSe2O4 clusters. In each NSe2O4 cluster, N4+ is bonded in a distorted water-like geometry to two O2- atoms. There is one shorter (1.16 Å) and one longer (2.11 Å) N–O bond length. There are two inequivalent Se1+ sites. In the first Se1+ site, Se1+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.66 Å) and one longer (1.89 Å) Se–O bond length. In the second Se1+ site, Se1+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.70 Å) and one longer (1.84 Å) Se–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N4+ and one Se1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Se1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N4+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Se1+ atoms.