Materials Data on Zn(Br2N)2 by Materials Project

Abstract

(ZnBr2)3ZnNBr3(BrN)7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twenty-eight bromamine molecules, four ZnNBr3 clusters, and twelve zinc dibromide molecules. In each ZnNBr3 cluster, Zn2+ is bonded in a distorted bent 150 degrees geometry to three Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.23–3.35 Å. N1+ is bonded in a single-bond geometry to one Br1- atom. The N–Br bond length is 1.78 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted water-like geometry to one Zn2+ and one N1+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Zn2+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Zn2+ atom.