Crystal structures of solid solution (Ba1−xCax)(Sc1/2Nb1/2)O3 system
Crystal structures of solid solution (Ba1−xCax)(Sc1/2Nb1/2)O3 system
复制标题
固溶体 (Ba1−xCax)(Sc1/2Nb1/2)O3 系的晶体结构
DOI：
10.1088/1757-899x/18/8/082023
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发表时间：
2011
期刊：
影响因子：
--
通讯作者：
H. Ikawa
中科院分区：
文献类型：
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作者：
H. Nakano;T. Ida;M. Takemoto;H. Ikawa
(Ba1−xCax)(Sc1/2Nb1/2)O3(0 ≤ x ≤ 0.8) 的固溶体在较宽的组成范围内合成。在本研究中，晶体结构是通过同步加速器X射线衍射和电子衍射方法确定的。 Ba(Sc1/2Nb1/2)O3 (x = 0) 的晶体结构具有立方对称性 (Fm 3̄ m)，从非常弱的 111 反射的外观来看，原子参数约为 0.8 nm（2 × 2 × 2 晶胞）。反射强度取决于 B-阳离子的排序。此外，晶体对称性发生结构变化，随着Ca含量的增加，对称性趋于降低。这是由 BO6 倾斜系统控制的，因为细胞尺寸随着 Ca 含量的增加而变小。因此，随着Ca含量的增加，B位中Sc3+和Nb5+离子变得有序排列。
The solid solutions of (Ba1−xCax)(Sc1/2Nb1/2)O3(0 ≤ x ≤ 0.8) are synthesized in a wide composition range. In the present study, the crystal structures are determined by a synchrotron X-ray diffraction and an electron diffraction method. The crystal structure of Ba(Sc1/2Nb1/2)O3 (x = 0) has a cubic symmetry (Fm 3̄ m) with atomic parameters of about 0.8 nm (2 × 2 × 2 cells) judging by the appearance of very weak 111 reflections. The reflection intensity depends on the ordering in the B-cation. Furthermore, structural changes occur in the crystal symmetry, where the symmetries tend to decrease with increasing Ca content. This is controlled by the BO6 tilting system, since the cell sizes become smaller with increasing Ca content. Consequently, in the B-site, Sc3+ and Nb5+ ions come to have an orderly arrangement with increasing Ca content.