Materials Data on NaCu(IO2)2 by Materials Project

Abstract

NaO4Cu(I)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four cuprum molecules; eight hydriodic acid molecules; and two NaO4 ribbons oriented in the (0, 0, 1) direction. In each NaO4 ribbon, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.57–3.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one O2- atom. The O–O bond length is 1.27 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Na1+ and one O2- atom.