Crystal Structure, Disorder, and Diffusion Path of Oxygen Ion Conductors Y1-xTaxO1.5+x (x = 0.215 and 0.30)
Crystal Structure, Disorder, and Diffusion Path of Oxygen Ion Conductors Y1-xTaxO1.5+x (x = 0.215 and 0.30)
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氧离子导体Y1-xTaxO1.5 x（x = 0.215和0.30）的晶体结构、无序和扩散路径
DOI：
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发表时间：
2007
期刊：
影响因子：
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通讯作者：
T. Tsuji
中科院分区：
文献类型：
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作者：
Masatomo Yashima and;T. Tsuji
本文报道了钇钽酸盐Y0.785Ta0.215O1.715和Y0.7Ta0.3O1.8的中子粉末衍射研究结果。在与萤石相关的正交晶系Y0.7Ta0.3O1.8化合物中，Y和Ta原子呈有序排列，氧离子定位在稳定位置附近。相反，在缺陷萤石型立方Y0.785Ta0.215O1.715材料中，Y原子和Ta原子呈职业性无序，氧离子表现出较大的空间分布和位置无序。在808 K较高温度下，氧离子的空间分布较大，氧离子的扩散路径主要沿< 100 >方向。氧离子在立方Y0.8Ta0.2O1.7中具有较高的扩散系数和电导率，这是由于职业和位置障碍造成的。
We report the results of a neutron powder diffraction study of the yttrium tantalates Y0.785Ta0.215O1.715 and Y0.7Ta0.3O1.8. In the orthorhombic fluorite-related Y0.7Ta0.3O1.8 compound, the Y and Ta atoms were occupationally ordered, and the oxygen ions were localized at around the stable positions. On the contrary, in the defect fluorite-type cubic Y0.785Ta0.215O1.715 material, the Y and Ta atoms were occupationally disordered, and the oxygen ions exhibited a large spatial distribution and positional disorder. At a higher temperature of 808 K, the spatial distribution of the oxygen ions was larger, and the diffusion paths of the oxygen ions were observed along the 〈100〉 directions. The high diffusion coefficient and conductivity of oxygen ions in cubic Y0.8Ta0.2O1.7 are attributable to the occupational and positional disorder.