Orientational disorder in nickel(II)hexammine nitrate

Abstract
We calculate from X-ray and neutron single crystal Bragg intensities the orientational density as well as the rotational potential for the disordered NO3 molecule. Reorientation occurs most likely by 109° jumps of NO3. The NH3 molecules are also disordered. We observe a proton density with a four fold symmetry. Both kinds of molecules were analysed with continuous density as well as with Frenkel models.