Materials Data on NaN3 by Materials Project

NaN3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two NaN3 sheets oriented in the (0, 1, 0) direction. Na1+ is bonded in a distorted square co-planar geometry to four N+0.33- atoms. There are two shorter (2.39 Å) and two longer (2.75 Å) Na–N bond lengths. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent Na1+ atoms. In the second N+0.33- site, N+0.33- is bonded in a bent 120 degrees geometry to one Na1+ and one N+0.33- atom. The N–N bond length is 1.12 Å.