Dear All, I am trying to refine a phase that has a structure analogue with different chemical composition. The problem is that using the published atomic coordinates one cannot get a proper refinement (mismatch in the diffraction intensities). When I process the data and solve the structure by direct methods I get atomic coordinates that are suitable for a good a Rietveld refinement (the structure is the same). If somebody has explanation of this problem I will be very grateful to hear it.
Many thanks in advance. Stanislav