ic051413+_si_001.cif (7.33 kB)

New Cubic Perovskite Na(Cu2.5Ti0.5)Ti4O12 with Square Planar Coordination of Ti4+

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posted on 06.03.2006, 00:00 by Maxim Avdeev, Vladimir B. Nalbandyan
A new perovskite, Na[Cu2.5Ti0.5]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 Im3̄ space group (a = 7.38472(2) Å, 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.