Abstract
The structures of the melilite (three compounds) have been determined in the range from room temperature up to 773 K. The structures of incommensurate (IC) phase are characterized by bundles of four arrays of the six-coordinated Ca polyhedra with T 1 tetrahedra along the c-axis. The IC phases undergo the phase transition into the normal phases at elevated temperatures. The change of the modulated structure has been clarified by construction of the structures using the desired q-values and the modulation amplitudes determined at 293 K. The change of IC structures is characterized by variable distribution of bundle and octagonal arrangements of them. Large-scale regularities with sizes much larger than the modulation wavelength are also formed in the structures. The structure of commensurate phase of Ca2CoSi2O7 has been determined based on the results of simulation.
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