摘要
在Ｘ射线粉末衍射数据的解析中，整体分解（ＷＰＰＤ）法不涉及被测晶体的晶胞构造而能确定各条衍射线的位置、强度及其它线形参数，并得到精密化的晶胞参数值。本文首先详细地介绍了整体分解法的解析原理；然后简述了α－ＳｉＯ２晶胞参数精确测定和Ｃａ２ＳｉＯ４的β与γ晶型共存时谱的分解等解析实例。
As a tool for analyzing X-ray powder diffraction data, the whole powder-pattern decomposition method (WPPD in short) without reference to crystal structural model can refine the unit cell parameters and the positions, intensities and other profile parameters of individual reflections. In this paper, the theory of WPPD is described and two examples of application are given. One is the precisiondeterminatidn of lattice parameters of α-SiO2, and the other is the decomposition of diffraction data ofCa2SiO4 when β and γ types coexist.
基金
国家自然科学基金
