Materials Data on Cu2NO6 by Materials Project

Abstract

(CuO2)2NO2 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of two nitrous acid molecules and one CuO2 sheet oriented in the (0, 0, 1) direction. In the CuO2 sheet, there are two inequivalent Cu sites. In the first Cu site, Cu is bonded to six O atoms to form edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.90–2.11 Å. In the second Cu site, Cu is bonded to six O atoms to form edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.89–2.03 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Cu atoms. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to three Cu atoms. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three Cu atoms. In the fourth O site, O is bonded in a distorted T-shaped geometry to three Cu atoms.