%0 Journal Article %T A new approach to extract reliable intensities of non-equivalent systematical overlapping reflections from powder diffraction data
从x射线粉末数据获得非等效本征重叠衍射的合理衍射强度 %A Ma Hong-Wei %A Liang Jing-Kui %A
马宏伟 %A 梁敬魁 %J 物理学报 %D 2004 %I %X A new approach to extract reliable intensities from systematical non-equivalent overlapping reflections has been proposed and tested by simulated powder diffraction pattern of known structures. By using both crystallographic and structural chemistry knowledge, the IDM-UAIC reconstructs the intensities and solves the structure through an iterative procedure. The results show that IDM-UAIC succeeds when more than 30% of the total scattering power can be located in a reasonable precise from the equivalent systematical overlapping reflections. The IDM-UAIC procedure is superior to the simple equi-partition methods for the nonequivalent systematical overlapping reflections while it is equivalent to simple equi-partition methods for the equivalent systematical overlapping reflections. %K nonequivalent systematical overlapping reflections %K diffraction intensity %K IDM-UAIC
非等效本征重叠, %K 衍射强度, %K 原子强度贡献迭代分配法 %U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=A7FB1941376050D6&yid=D0E58B75BFD8E51C&vid=8E6AB9C3EBAAE921&iid=38B194292C032A66&sid=C81F81170838C444&eid=849A5A9D85EBE6D4&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=23