Abstract

The crystal structure of anion-deficient hexagonal perovskite-like oxide Ba 5In 2Al 2ZrO 3 ( a = 5.8707(7) A ̊ , a = 24.445(3) A ̊ , space group P6 3/ mmc, z = 2) was determined using single crystal data. A least-squares refinement gave conventional and weighted R factors of 0.037 and 0.040 respectively. This structure is a 10L ( cchcc) 2 sequence of close-packed BaO 3 and BaO□ 2 layers. The main feature of the structure is joint occupation of two 4f positions by In and Al atoms, which result in disordering of oxygen atoms and vacancies in the BaO□ 2 layers. It was shown that this structure can be considered formally as a result of the intergrowth of Ba 2InAlO 5-like blocks and BaZrO 3 ones along the c-axis of the hexagonal supercell.

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