I am performing a Multiphase refinment of five phases present in the compound.The overall isotropic displacement parameters(Biso) whatever i try to do upon refinement from its default value of 1 turns out to become negative and if i try to refine them individually even then it turns out to become a positive value.
if refine overall isotropic displacement parameters phase 1 -15.64 phase 2 -16.41 phase 3 2.693 phase 4 3.29 phase 5 0.7697 If i refine the atoms individually give error message when refined! How to conclude from my refinement whether they are correct or not? If negative values are wrong then how to modify the refinement and restraints need to be applied to correct my refinement?where might my refinement have taken wrong fork?
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