Materials Data on Zn3(NO5)2 by Materials Project

Abstract

Zn3(NO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Zn3(NO5)2 sheet oriented in the (1, 0, 0) direction. there are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted see-saw-like geometry to four O atoms. There are a spread of Zn–O bond distances ranging from 1.91–1.99 Å. In the second Zn site, Zn is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Zn–O bond distances ranging from 1.94–2.06 Å. In the third Zn site, Zn is bonded to six O atoms to form distorted edge-sharing ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 1.99–2.38 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.30 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.24 Å) and one longer (1.30 Å) N–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Zn and one N atom. In the second O site, O is bonded in a single-bond geometry to one N 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 distorted trigonal non-coplanar geometry to three Zn atoms. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Zn atoms. In the sixth O site, O is bonded in a 1-coordinate geometry to one Zn and one N atom. In the seventh O site, O is bonded in a trigonal non-coplanar geometry to three Zn atoms. In the eighth O site, O is bonded in a single-bond geometry to one N atom. In the ninth O site, O is bonded in a trigonal non-coplanar geometry to three Zn atoms. In the tenth O site, O is bonded in a single-bond geometry to one N atom.