Materials Data on FeI(NO)2 by Materials Project

Abstract

FeI(NO)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four FeI(NO)2 clusters. Fe3+ is bonded to two N1+ and two equivalent I1- atoms to form distorted edge-sharing FeI2N2 tetrahedra. Both Fe–N bond lengths are 1.79 Å. There are one shorter (2.71 Å) and one longer (2.72 Å) Fe–I bond lengths. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one O2- atom. The N–O bond length is 1.19 Å. In the second N1+ site, N1+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The N–O bond length is 1.19 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. I1- is bonded in a 2-coordinate geometry to two equivalent Fe3+ atoms.