If we have a material in nanoscale and we want to find out the co-ordinates(X,Y,Z) of components of material (i.e coordinates of Ni and O in NiO crystallite). How can we find it?
NiO crystallizes in rock salt structure, O and Ni are at (0,0,0) and (0.5,0.5,0.5) positions, respectively. If you mix NiO with Ni, it is possible that Ni interstial will form, resulting in Ni1+xO or NiO1-x. O vacancies will form.