I am refining structural parameters of my sample. after inserting all parameters in sequence, When I take first Run in refinement, the intensities of all peaks diminishes to zero of calculated data.
Can anyone shed some light on which factor may cause affect on peak intensity?
a,b,c parameters? or wynk-off parameters? or occupancies? or any other parameters?
First things first.
When refining a structure with the Rietveld method, you should be very careful and try not to refine everything together.
First, go for the equipment zero, then the background. Once the background is good, go to the phase factor, which is crucial. After taking one mathematical model (Gauss-Lorentz, for example), you will have several parameters, such as GV, GU, GW, GP, LX, LY, Shift, Trans, and others. Each one of them means something, GU and LY are strain related, GP and LX are crystallite size domains related.
The last thing you should refine is the unit cell (lattice parameters, coordinates, occupancy), always paying attention if the values have physical meaning (Always > 0)
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