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Incommensurate phase of the stuffed tridymite derivative BaSrFe4O8
Journal of Solid State Chemistry ( IF 3.2 ) Pub Date : 2018-06-15 , DOI: 10.1016/j.jssc.2018.06.007
Y. Ishii , S. Kawaguchi , K. Asai , S. Mori

We demonstrate a new modulation for a high-temperature polymorph of BaSrFe4O8 via synchrotron powder X-ray diffraction and transmission electron microscopy (TEM) experiments. Although the powder X-ray diffraction pattern was successfully analyzed using a structure model of space group Pnna, an unusually large isotropic atomic displacement parameter (Uiso) was observed for the O1 atom. A split atom model that was applied to the O1 site and the adjacent Ba/Sr site, both of which are on the two-fold axis along the c-axis, indicated that positional disorder occurred in these atoms along the c-axis. The electron diffraction pattern and high-resolution TEM observations combined with the structure refinements revealed an incommensurate structure with a modulation vector q=0.4270(1)a* and a displacement vector perpendicular to the a-axis, which gave rise to the large Uiso value of the O1 atom. The modulation observed in this study may be a signature of structural instability, which has commonly been discussed in the stuffed tridymite-type oxides.



中文翻译:

充填的鳞石英衍生物BaSrFe 4 O 8的不相称相

我们通过同步加速器粉末X射线衍射和透射电子显微镜(TEM)实验证明了BaSrFe 4 O 8高温多晶型物的新调制。尽管使用空间群的结构模型成功地分析了粉末X射线衍射图普纳,是一个非常大的各向同性原子位移参数(üiso观察到O1原子。应用于O1位置和相邻的Ba / Sr位置的分裂原子模型都位于沿c轴的两倍轴上,这表明这些原子沿c轴发生了位置混乱。电子衍射图和高分辨率TEM观察与结构改进相结合,揭示了带有调制矢量的不对称结构q=0.42701个一个*以及垂直于a轴的位移矢量üisoO1原子的值。在这项研究中观察到的调制可能是结构不稳定性的标志,这在填充的鳞石英型氧化物中已被普遍讨论。

更新日期:2018-07-12
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