Dear
 Folks,
I have X-ray diffraction pattern for different
 samples
 both simulated and experimentally obtained.
The sample contain
 three different element both
heavy (Mo/Co) and light (say Carbon,
 Oxygen)
For these samples, I observe two major
 peaks in experiments while
 i have more number of peaks in theory.
I would
 attribute it to the fact that the peaks
corresponds to the light
 element in the sample,
are not reflected in experimental
 spectrum. 
 
But, however, i wanted to know how the
peaks
 obtained in x-ray diffraction could be
assigned to the individual
 bonds in the sample.
I am looking for
 literature/Tutorials/Suggestions
 from you and i thank you in advance.
If you need
 more details about this please let me know
and i look forward hearing
 from you.
Sanjay