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Wildner, Manfred
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article
Vibrational entropy of disordering in omphacite
Abstract
<jats:title>Abstract</jats:title><jats:p>The cations of an ordered omphacite from the Tauern window were gradually disordered in piston cylinder experiments at temperatures between 850 and 1150 °C. The samples were examined by X-ray powder diffraction and then investigated using low-temperature calorimetry and IR spectroscopy. The low-temperature heat capacity data were used to obtain the vibrational entropies, and the line broadening of the IR spectra served as a tool to investigate the disordering enthalpy. These data were then used to calculate the configurational entropy as a function of temperature. The vibrational entropy does not change during the cation ordering phase transition from space group <jats:italic>C2/c</jats:italic> to <jats:italic>P2/n</jats:italic> at 865 °C but increases with a further temperature increase due to the reduction of short-range order.</jats:p>