Materials Data on CIN2O7 by Materials Project

Abstract

N2COIO6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, four formaldehyde molecules, and four IO6 clusters. In each IO6 cluster, there are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.89 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.91 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.92 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.87 Å. In the fifth O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.89 Å. In the sixth O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.91 Å. I5+ is bonded in an octahedral geometry to six O2- atoms.