Structure determination of ζ-Fe 2N by neutron and synchrotron powder diffraction

Abstract

Microcrystalline samples of ζ-Fe 2N were prepared from iron powder in a glass apparatus under flowing ammonia. The crystal structure was studied by neutron and high resolution synchrotron powder diffraction at room temperature. ζ-Fe 2N crystallizes orthorhombic: space group Pbcn (No. 60), Z = 4, a = 4.4373(2) A ̊ , b = 5.5413(1) A ̊ and c = 4.8429(1) A ̊ ; N(F o ) = 29 46 and seven structural parameters with both sets of data commonly refined; R Bragg = 4.2% (neutron), R Bragg = 5.6% (synchrotron).