ELECTRON-DENSITY DISTRIBUTION AND STRUCTURAL FEATURES OF SODIUM-AZIDE

The distribution of electron density in rhombohedral sodium azide has been calculated by band theory methods for the planes in which the shortest anion-anion and anion-cation distances are realized. The chemical bonding in this compound has a complex character - an ionic bond between the anions and cations and a covalent bond within the anion. The overlap of electron clouds of the anions leads to the formation of negatively charged anions and positively charged cations of layers positioned perpendicular to a third-order axis. It has been established that a charge exists on the bonds between the anions of the third coordination sphere, thus providing evidence for appreciable anion-anion interaction of the covalent type.