Materials Data on Na3N2O9 by Materials Project

Abstract

Na3N2O9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded to four O atoms to form distorted corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.22–2.40 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.41–2.92 Å. In the third Na site, Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.31–2.68 Å. There are two inequivalent N sites. In the first N site, N is bonded in a bent 120 degrees geometry to two O atoms. Both N–O bond lengths are 1.26 Å. In the second 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 1.21–1.54 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one O atom. The O–O bond length is 1.28 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Na and one O atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one N atom. In the fourth O site, O is bonded in a water-like geometry to one Na and one N atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.35 Å. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na and one N atom. In the seventh O site, O is bonded in a distorted trigonal non-coplanar geometry to one Na, one N, and one O atom. In the eighth O site, O is bonded in a trigonal planar geometry to three Na atoms. In the ninth O site, O is bonded in a distorted single-bond geometry to two equivalent Na and one N atom.