EVIDENCE FOR STRONG INTERACTION BETWEEN THE 5F(2) AND 5F(1)7P(1) CONFIGURATIONS OF U4+ IN THE OCTAHEDRAL SITES OF CS2UBR6 AND CS2ZRBP6

摘要

It is shown that the mean deviation (experimental versus calculated) of the energy level fit in the crystal field analysis of U4+ in Cs2UBr6 and Cs2ZrBr6 falls from 208 to 43 cm(-1) when configuration interaction 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. [References: 10]