Materials Data on NaN3 by Materials Project

NaN3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Na1+ is bonded to six N+0.33- atoms to form edge-sharing NaN6 octahedra. There are a spread of Na–N bond distances ranging from 2.50–2.61 Å. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. Both N–N bond lengths are 1.19 Å. In the second N+0.33- site, N+0.33- is bonded in a rectangular see-saw-like geometry to three equivalent Na1+ and one N+0.33- atom. In the third N+0.33- site, N+0.33- is bonded in a rectangular see-saw-like geometry to three equivalent Na1+ and one N+0.33- atom.叠氮化钠（NaN₃）结晶于三斜晶系P1空间群。其晶体结构为三维框架。+1价钠离子与六个平均氧化态为+0.33的氮离子配位，形成共边NaN₆八面体。Na–N键的键长分布范围为2.50~2.61 Å。该体系中存在三个不等价的N⁺0.33⁻位点：在第一个N⁺0.33⁻位点中，该氮离子与两个N⁺0.33⁻原子呈直线型配位，两条N–N键的键长均为1.19 Å。在第二个N⁺0.33⁻位点中，该氮离子与三个等价的+1价钠离子及一个N⁺0.33⁻原子以矩形跷跷板型几何构型配位。在第三个N⁺0.33⁻位点中，该氮离子与三个等价的+1价钠离子及一个N⁺0.33⁻原子以矩形跷跷板型几何构型配位。