Abstract
The dependence of the potential energy [Formula: see text] of Sb atoms on [Formula: see text] symmetry normal coordinates for [Formula: see text] crystal in ferroelectric phase with a varying mixture [Formula: see text] is investigated in the current paper. The potential energy of Sb atoms is characterized by a high anharmonicity within the temperature range 295–377 K. The large anharmonicity of the potential energy [Formula: see text] implies that [Formula: see text] crystals exhibit intermediate behavior between displacement and order–disorder type phase transitions. The phase transition temperature [Formula: see text] depends on the mixture composition [Formula: see text].
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