闪石族11-12种阳离子占位的X射线衍射估算

The calculation cation site-occupancy for amphibole group by X-ray powder diffraction

阐述了用X射线粉末图上特征峰强度对已知阳离子占位建立线性统计模型,估算未知样品各阳离子占位方法。实测数据证实这不仅在理论上可能,在实验上也是可行的。无论钙质闪石、碱性闪石,估算的精度均达到90%左右,可满足晶体化学研究之需,对闪石种属定名与成分分析定名对比,准确率达80%-85%,从而否定了“闪石族不能用X射线粉末法研究”的断言。

The method for building statistic model on amphibole of relationship between intensities in XRD pattern with cation site-occupancy is discussed in this article. Cation site-occupancy of unknown samples can be estimated with this model. Total precision of estimation is up from 80 % to 85 % for named crystal chemical class in amphibole nomenclature. It is an important significance that calculation cation site-occupancy for amphibole group by X-ray powder diffraction is not only possible but also reliable.