Coexistence of tetragonal with orthorhombic or trigonal Jahn-Teller distortions in anOhcomplex. II. Effect of anharmonicity

Abstract
The linear Jahn-Teller interaction of a triply degenerate T electronic term in an Oh complex with εg and τ2g modes has been considered with the inclusion of anharmonic interatomic potential terms. The anharmonic terms allow the coexistence of stable distortions of different symmetry. The effect of the totally symmetric coordinate Q1 has also been considered and its effects discussed with respect to recent experimental results.