Md. Faucher et al., EVIDENCE FOR STRONG INTERACTION BETWEEN THE 5F(2) AND 5F(1)7P(1) CONFIGURATIONS OF U4+ IN THE OCTAHEDRAL SITES OF CS2UBR6 AND CS2ZRBP6, Physical review. B, Condensed matter, 53(15), 1996, pp. 9501-9504
It is shown that the mean deviation (experimental versus calculated) o
f the energy level fit in the crystal field analysis of U4+ in Cs2UBr6
and Cs2ZrBr6 falls from 208 to 43 cm(-1) when configuration interacti
on between the ground configuration 5f(2) and 5f(1)7p(1) is taken into
account. A drastic decrease of the gap between the two configurations
is required to give an optimum data fit.