ayema
Hi,
I did a dehydration experiment on perovskite-structured meterials, to follow the SOF of the oxygen site and of the H site, as water leaves the structure.
In a sequential refinement for neutron datasets as a function of temperature, I'm trying to constrain the occupancy factor for H to the one for O, so that when Osof changes, Hsof changes by 1/4 of that, starting from a max value of 0.01783.
Any suggestion?
Nico
ayema
I try a clearer explanation of the goal:
As water leaves the structure during the dehydration experiment, Osof diminishes, and so should Hsof.
Hsof should be constrained to Osof in a way so that the change in Osof from dataset "n" to dataset "n+1" is reflected in a change of 1/4 of that Osof change in Hsof.