Materials Data on CuS2(NO7)2 by Materials Project

Abstract

Cu(NO4)2(SO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four sulfur trioxide molecules and two Cu(NO4)2 clusters. In each Cu(NO4)2 cluster, Cu is bonded in a square co-planar geometry to four O atoms. There are two shorter (1.86 Å) and two longer (2.28 Å) Cu–O bond lengths. N is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.21 Å) and one longer (1.32 Å) N–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Cu and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a single-bond geometry to one O atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Cu and one N atom.