Abstract

SALIM DE AMORIM, Helio et al. Ammonium Azide: A Commented Example of an Ab Initio Structure (Re-)Determination From X-Ray Powder Diffraction. Rev. Soc. Quím. Méx [online]. 2002, vol.46, n.4, pp.313-319. ISSN 0583-7693.

The structure of ammonium azide (NH₄)N₃ was (re-)deter-minated ab initio from x-ray powder diffraction experiment using synchrotron radiation. We tried to detail and comment the different steps involved in the structure determination. The compound crysta-llize in the orthorhombic Pmna space group (no.53) with a = 8.937(1) Å, b = 3.8070(5) Å, c = 8.664(1) Å, V = 294.79(7) Å3; Z = 4. It was possible to locate and refine the hydrogen coordinates, in two diffe-rent approaches, and to establish the H-bonds. The final structural parameters are in good agreement with previous results based on three-dimensional neutron diffraction.

Keywords : Ammonium azide; x-ray diffraction; structure determination.