Mr. Kleeberg,
Read the paper that you send to me, ´´RIETVELD ANALYSIS OF DISORDERED LAYER
SILICATES``, and I have some questions about it.
In the refinement of chlorite minerals with well defined disordering (layers
shifting by exactly b/3 along the three pseudohexagonal Y axis), you
separate the peaks into k = 3.n (relative sharp, less intensive peak) and k
 3.n (broadened or disappeared reflections). How did you determined
this value k = 3.n and n = 0,1,2,3..., right?
First, the chlorite refinement.
In the first refinement of chlorite you used no disordering models and used
´´cell parameters`` and ´´occupation of octahedra``. So you refined the
lattice parameters and the occupancy of all atoms?
In the second refinement, you use na anisotropic line broadening ´´in the
traditional way``. So you used a simple ellipsoidal model and/or spherical
harmonics?
The last refinement, describing a real structure. You used for the
reflections k  3.n (broadened peaks) a ´´rod-like intensity
distribution``, with the rod being projected by the cosine of the direction
on the diffractogram. You used also the lenghts of the rods as a parameter,
so as the dimension of the rods for 0k0 with k  3.n. I would like to
know how did you ´´project`` these rods and use them in the refinement.
For the k = 3.n reflections, you used an anisotropic broadening model (aniso
crystallyte size) and and isotropic broadening model (microstrain
broadening). But you said that crystallite size is an isotropic line
broadening in my kaolinite refinement and I should not use it. So I use or
not the cry size?
Now the kaolinite refinement.
In the first refinement was used fixed atomic positions and a conventional
anisotropic peak broadening. This conventional anisotropic peak broadening
would be the simple ellipsoidal model and/or spherical harmonics?!
After that you use the introduced model of disorfering. Is this model the
same of the chlorite (rods for k  3.n and microstrain broadening and
anisotropic crystallite size?
Thank you very much.
Regards,
Leandro
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