Bi4(SiO4)3晶体结构的X射线粉末衍射研究

STUDY ON THE CRYSTAL STRUCTURE OF Bi4(SiO4)3 BY X-RAY POWDER DIFFRACTION

  • 摘要: 在X射线衍射仪上收集了Bi4(SiO4)3的衍射数据;利用Rietveld方法对衍射数据进行指标化,F30=158.90;确定了Bi4(SiO4)3的晶体结构参数。结果发现:该结构中硅氧四面体是变形的孤立四面体,其中两个O-Si-O键角为107.13°,而另两个为114.26°,详细报道了晶体结构,给出了晶体结构图;提出Bi离子最外层孤对的6s2电子的存在是形成这种变形配位多面体的原因。

     

    Abstract: X-ray diffraction pattern of Bi4(SiO4)3 was recorded with F30=158.90 using a conventional x-ray diffractometer. Atom positions and displacement parameters of Bi, Si and O in Bi4(SiO4)3, were determined by Rietveld analysis using those data. Rwp is 11.8. The cubic cell parameter is 1.02867(5)nm. It was found that the SiO4 tetrahedra is a distorted one; two of the O-Si-O angle are 107.13° while the other two are 114.26°. The structure was reported in detail. The reason for this distortion is attributed to the lone-pair-electron 6s2 of Bi3+ ion.

     

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