Abstract

The chemical bond parameters of the rare earth iron orthoferrites were calculated using the chemical bond dielectric theory of complex structural crystals. The environment factor defined by electron polarizabilities and covalency was employed to calculate Mossbauer isomer shift of REFeO 3. The calculated isomer shift of YFeO 3 was in agreement with its measurement value. The hardness of YFeO 3 was predicted, which is also in agreement with the experimental value.

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