How to find coordinates of components in nanomaterial i.e coordinates of Ni and O in NiO nanomaterial?

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Yanchun Zhou

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.

Deepak Singhwal

Sir, is there any mathematical expression for calculation of co-ordinates of Ni and O from XRD ?(@ Alan F Rawle )