The temperature factor (B) parameter in the context of Rietveld refinement is typically defined as the isotropic atomic displacement parameter, representing the extent of atomic vibrations or displacements around equilibrium positions in a crystal lattice. It reflects the degree to which the atomic positions deviate due to thermal motion, and it is often related to the mean-square displacement of atoms.

Beyond directly fitting the B factor as a free variable in the Rietveld refinement, are there alternate methodologies for determining its value prior to quantifying the Ni/Li site mixing in NCM cathodes?