Materials Data on Zn5(N2O7)2 by Materials Project

Abstract

Zn5O8N2(NO3)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four ammonia molecules; four nitric acid molecules; and two Zn5O8 sheets oriented in the (1, 0, 0) direction. In each Zn5O8 sheet, there are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form edge-sharing ZnO6 octahedra. There are two shorter (2.01 Å) and four longer (2.05 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form edge-sharing ZnO6 octahedra. There are two shorter (2.02 Å) and four longer (2.04 Å) Zn–O bond lengths. In the third Zn2+ site, Zn2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.92 Å) and two longer (1.93 Å) Zn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Zn2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Zn2+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Zn2+ atoms.