Abstract

A new perovskite, Na[Cu(2.5)Ti(0.5)]Ti4O12, has been synthesized using a conventional solid-state technique. Neutron and synchrotron X-ray powder diffraction studies in combination with density measurements and bond-valence calculations have revealed that the material crystallizes in the cubic Im space group (a = 7.38472(2) A, Z = 2) with the square-plane site accommodating 16.7% of Ti4+. This is the highest level of non-Jahn-Teller cation substitution for Cu2+ reported to date for CaCu3Ti4O12-type perovskites prepared at ambient pressure.

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