J. Mulak, SYSTEMATIZATION OF PARAMETERIZATIONS OF S4 CRYSTAL-FIELD POTENTIAL INSCHEELITE MATRICES, Polish Journal of Chemistry, 67(11), 1993, pp. 2053-2063
For the standardized parameterizations of S4 crystal field potential c
ontaining one imaginary parameter ImB4(6) the ration ImB4(6)/ReB46 can
be, more correctly than the others, calculated within the superpositi
on model using the crystallographic data only. It allows us to check u
p the correctness of the S4 experimental parameterizations. Such verif
ication has been applied to all available data refering to the crystal
matrices of scheelite type (CaWO4, LiYF4) doped with the rare earth i
ons. The larger part of the parameterizations, at least as for their s
ixth-order off-axial parameters, turns out to be quite accidental and
non-physical. The ratio ImB4(6)/ReB46 should be taken as one of the in
put data in the fitting procedures and the parameterizations performed
hitherto should be reinterpreted.