Abstract
Abstract In-situ neutron and X-ray diffraction experiments were used to determine the crystal structure of Ba 2 In 2 O 5 as related to temperature. Ba 2 In 2 O 5 has a Brownmillerite-type crystal structure from room temperature to 900 °C, consisting of an orthorhombic unit cell with lattice parameters 6.0864(3)×16.7903(7)×5.9697(3) A and Icmm (74) space group symmetry. At 900 °C, oxygen vacancies begin to disorder. By 925 °C, barium indate crystallizes in a tetragonal, 6.0348(4)×17.0688(22) A, unit cell with I4cm (108) space group symmetry. This oxygen vacancy order–disorder transition is associated with an evolution to fast oxide-ion conduction. At 1040 °C, Ba 2 In 2 O 5 becomes a cubic oxygen-deficient perovskite, 4.2743(1) A, in the Pm3m space group. At 1080 °C, Ba 2 In 2 O 5 begins to decompose.
Published Version
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