Hello, when you say the (4, 0, 0) intensity goes down, I was wondering what is 
actually changing? Likewise for the shift in (2, 0, 0). If every atom lay in a 
particular diffraction plane, they would all scatter in phase and the 
diffraction from that plane would be nice and strong! The relative phase of 
each atom's scattering is dictated by the distance from the plane, right ;-? 
Diffractogram sounds like proper physics. Best wishes, Jon. C.

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-------- Original Message --------
On 22 Dec 2020, 22:26, Kamil Krawczyk wrote:

> Hi all,
>
> As an experimental physicist slowly becoming more acquainted with 
> crystallography, I have a bit of clerical issue visualizing this particular 
> problem in my head:
>
> For example, the 400 and 200 reflections in a diffractogram are related to 
> the 100 family of crystallographic planes; I'd imagine, that in real space, 
> the higher order plane (e.g. the 400) corresponds to atoms 'closer' to the 
> center of the crystal/unit cell.
>
> I have an interesting observation where I am seeing the 400 peak intensity go 
> down (likely due to increased RMS motion), whereas the 200 reflection does 
> not really change in its intensity. Furthermore, I see a shift in the 200 
> peak, implying an expansion (a shift to lower q), but no abnormal change in 
> the 400 peak position.
>
> What I am having a really hard time wrapping my head around is how these two 
> events can be occurring simultaneously; I would naively say that since the 
> 400 reflection is showing an increased RMS, the 400 peak should likely shift 
> - not the 200. Does anybody have an easy way to visualize this? I am trying 
> to look at crystallographic vectors in VESTA on a model system, but sadly 
> have not been able to see the light just yet.
>
> Thank you! And sorry for dropping all the parentheses on reflection names, it 
> saved me some typing :p
>
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