Abstract

The crystal structure of CaCu3Ti4O12 has been studied using high resolution synchrotron radiation based x-ray powder diffraction. The observed x-ray diffraction patterns show pronounced Bragg peak asymmetries which should not be present assuming the commonly accepted cubic crystal structure of CaCu3Ti4O12 described by the space group Im-3. Several structural models are discussed. The first model assumes a coexistence of two phases with the cubic symmetry (both space group Im-3) and different lattice constants. The next models are based on subgroups of the cubic space group Im-3. The best agreement with the experimental data is found for the two-phase cubic model.

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