Superposition-model investigations of the zero-field splittings and their stress and temperature dependence for Mn in guanidinium aluminum sulfate hexahydrate

The zero-field splittings of sites I and II for Mn²⁺ in guanidinium aluminum sulfate hexahydrate (GASH) are calculated from the superposition model by using the normal intrinsic parameter ₂(R₀) obtained from Mn²⁺ ions in many oxygen octahedra. The results are in good agreement with the experimental findings. Based on this, the local compressibilities and local thermal expansion coefficients in the vicinity of the impurity ion Mn²⁺ have been studied from the stress and temperature dependence of zero-field splitting and are found to be half of the host ones. The reasonableness of these local values is discussed.