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Shift-Twin Option in Eight-Layer Hexagonal Perovskite Niobates Ba8MNb6O24
Congling Yin1, Fengqiong Tao1, Lei Zhao1
1MOE Key Laboratory of New Processing Technology for Nonferrous Metal and Materials, Guangxi Key Laboratory of Optic and Electronic Materials and Devices, College of Materials Science and Engineering, Guilin University of Technology, Guilin 541004, PR China.
Abstract:
Two new eight-layer hexagonal perovskites with the composition Ba8MNb6O24 (M = Fe and Cu) are synthesized by solid-state reaction at 1350-1400 °C. Their crystal structures have been investigated using X-ray and electron diffractions as well as high-resolution transmission electron microscopy. Although both compounds have similar M2+ size, Ba8FeNb6O24 and Ba8CuNb6O24 adopt shifted and twinned structures, respectively. Through comparison with the reported shifted Ba8MNb6O24 (M = Mn, Co, and Zn) and twinned Ba8NiNb6O24 as well as inexistent Ba8Mg(Nb/Ta)6O24, we elucidate that the twin-shift competition of Ba8MNb6O24 family could be related with multiple chemical factors including tolerance factors, B-cationic size difference, entropy variation with B-cation and vacancy disorder, Jahn-Teller distortion, and FSO B-B d orbit interactions.
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