You say you have XRF and XRD results.
Fluorescence has to do with the atomic energy levels, and the peaks you observe on an XRF spectrum are due to the available different atoms and their electronic configuration. That's why XRF spectra give information composition, because you can correlate the emission lines with the atoms present in the sample.
Instead, x ray diffraction uses the wave/particle duality as to obtain information about the STRUCTURE of your sample, i.e. you may obtain sites and locations, or spatial distribution of the atoms. You may think it as a particle scattering process, or you may think it as a wave constructive or destructive interference, (an incident wave strikes a material, and each of its atoms disperse it). This normally has an angular dependence, and very basically the peaks you obtain on an XRD spectrum depend on whether you obtain constructive interference or not.
As I understand it, these give you the chemical structure and composition of the sample. Presumably you have seen this:
In this application note, discover more about a study that aims to demonstrate the capability of combined XRF analysis and XRD phase identification instruments for the evaluation of mineralogy and chemistry of meteorites.